[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17ClN4O6 MolecularWeight: 444.82518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O6/c1-11-7-13(4-6-17(11)25(29)30)20(28)23-10-18(26)31-12(2)19(27)24-15-5-3-14(9-22)16(21)8-15/h3-8,12H,10H2,1-2H3,(H,23,28)(H,24,27)