[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19N5O8S MolecularWeight: 489.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H19N5O8S/c1-13(26)22-15-3-6-17(7-4-15)34(31,32)24(2)11-20(28)33-12-19(27)23-18-8-5-16(25(29)30)9-14(18)10-21/h3-9H,11-12H2,1-2H3,(H,22,26)(H,23,27)