[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)OC

InChI

InChI=1S/C20H19N3O7/c1-3-29-11-15-8-13(4-7-18(15)28-2)20(25)30-12-19(24)22-17-6-5-16(23(26)27)9-14(17)10-21/h4-9H,3,11-12H2,1-2H3,(H,22,24)