[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C21H18N2O8S MolecularWeight: 458.44122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O8S/c1-14-7-8-16(11-18(14)23(26)27)22-19(24)12-31-21(25)20-15(9-10-30-20)13-32(28,29)17-5-3-2-4-6-17/h2-11H,12-13H2,1H3,(H,22,24)