3-nitro-N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]benzamide

Systemtic Name: 3-nitro-N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]benzamide Openeye Name: 3-nitro-N-[3-[2-(4-nitroanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]benzamide CAS Name: 3-nitro-N-[3-[[2-(4-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]benzamide IUPAC Name: 3-nitro-N-[3-[2-(4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide Traditional Name: N-[3-[[2-keto-2-(4-nitroanilino)-1-phenyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C27H20N4O6S MolecularWeight: 528.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O6S/c32-26(19-8-4-10-23(16-19)31(36)37)29-21-9-5-11-24(17-21)38-25(18-6-2-1-3-7-18)27(33)28-20-12-14-22(15-13-20)30(34)35/h1-17,25H,(H,28,33)(H,29,32)