methyl 2-[(4-methoxy-3-nitro-phenyl)sulfonyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanoate

Systemtic Name: methyl 2-[(4-methoxy-3-nitro-phenyl)sulfonyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanoate Openeye Name: methyl 2-[(4-methoxy-3-nitro-phenyl)sulfonyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]acetate CAS Name: 2-[(4-methoxy-3-nitrophenyl)sulfonyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-3-nitrophenyl)sulfonyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]acetic acid methyl ester Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(CC(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(CC(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O8S/c1-13-4-6-14(7-5-13)20-18(23)11-21(12-19(24)30-3)31(27,28)15-8-9-17(29-2)16(10-15)22(25)26/h4-10H,11-12H2,1-3H3,(H,20,23)