[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]acetic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H18N4O8 MolecularWeight: 442.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O8/c1-30-15-6-12(7-16(8-15)31-2)20(27)22-10-19(26)32-11-18(25)23-17-4-3-14(24(28)29)5-13(17)9-21/h3-8H,10-11H2,1-2H3,(H,22,27)(H,23,25)