4-methoxy-N-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[2-[3-(methylthio)anilino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[3-(methylthio)anilino]ethyl]-4-methoxy-3-nitro-benzamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-25-15-7-6-11(8-14(15)20(23)24)17(22)18-10-16(21)19-12-4-3-5-13(9-12)26-2/h3-9H,10H2,1-2H3,(H,18,22)(H,19,21)