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

Systemtic Name: 3-nitro-N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]benzamide Openeye Name: 3-nitro-N-[3-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]benzamide CAS Name: 3-nitro-N-[3-[[2-(4-nitroanilino)-2-oxoethyl]thio]phenyl]benzamide IUPAC Name: 3-nitro-N-[3-[2-(4-nitroanilino)-2-oxoethyl]sulfanylphenyl]benzamide Traditional Name: N-[3-[[2-keto-2-(4-nitroanilino)ethyl]thio]phenyl]-3-nitro-benzamide Formula: C21H16N4O6S MolecularWeight: 452.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S/c26-20(22-15-7-9-17(10-8-15)24(28)29)13-32-19-6-2-4-16(12-19)23-21(27)14-3-1-5-18(11-14)25(30)31/h1-12H,13H2,(H,22,26)(H,23,27)