4-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)amino]-3,5-dinitro-benzoic acid
Molecular Formula:
C
13
H
15
N
3
O
8
S
InChI:
InChI=1/C13H15N3O8S/c1-24-13(19)8(3-4-25-2)14-11-9(15(20)21)5-7(12(17)18)6-10(11)16(22)23/h5-6,8,14H,3-4H2,1-2H3,(H,17,18)/f/h17H
InChIKey:
InChIKey=INCFGGQHLCJJMN-HCKMINDGCB
SMILES:
COC(=O)C(CCSC)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]
Names:
4-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)amino]-3,5-dinitro-benzoic acid
Registries:
PubChem CID 2834845
PubChem ID 3307081
