[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-ethyl] 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl] 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid [2-keto-2-(m-anisidino)ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-4-22(5-2)18-10-9-15(23(26)27)12-17(18)20(25)29-13-19(24)21-14-7-6-8-16(11-14)28-3/h6-12H,4-5,13H2,1-3H3,(H,21,24)