3,4-bis[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3,4-bis[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 3,4-bis[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 3,4-bis[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,4-bis[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 3,4-bis[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoic acid Formula: C25H22N4O8S2 MolecularWeight: 570.59418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O8S2/c30-23(14-38-12-16-1-6-19(7-2-16)28(34)35)26-21-10-5-18(25(32)33)11-22(21)27-24(31)15-39-13-17-3-8-20(9-4-17)29(36)37/h1-11H,12-15H2,(H,26,30)(H,27,31)(H,32,33)