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

Systemtic Name: 4-nitro-N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]benzamide Openeye Name: N-[3-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[3-[[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]benzamide IUPAC Name: 4-nitro-N-[3-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(4-nitroanilino)ethyl]thio]phenyl]-4-nitro-benzamide Formula: C22H18N4O6S MolecularWeight: 466.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O6S/c1-14(21(27)23-16-7-11-19(12-8-16)26(31)32)33-20-4-2-3-17(13-20)24-22(28)15-5-9-18(10-6-15)25(29)30/h2-14H,1H3,(H,23,27)(H,24,28)