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

Systemtic Name: 3-methoxy-N-[4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]benzamide Openeye Name: 3-methoxy-N-[4-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]benzamide CAS Name: 3-methoxy-N-[4-[[2-(4-nitroanilino)-2-oxoethyl]thio]phenyl]benzamide IUPAC Name: 3-methoxy-N-[4-[2-(4-nitroanilino)-2-oxoethyl]sulfanylphenyl]benzamide Traditional Name: N-[4-[[2-keto-2-(4-nitroanilino)ethyl]thio]phenyl]-3-methoxy-benzamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S/c1-30-19-4-2-3-15(13-19)22(27)24-17-7-11-20(12-8-17)31-14-21(26)23-16-5-9-18(10-6-16)25(28)29/h2-13H,14H2,1H3,(H,23,26)(H,24,27)