[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(N-allylanilino)-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(N-allylanilino)-2-keto-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N(CC=C)C2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N(CC=C)C2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O7/c1-4-11-22(15-9-7-6-8-10-15)20(24)14-30-21(25)16-12-19(29-5-2)18(28-3)13-17(16)23(26)27/h4,6-10,12-13H,1,5,11,14H2,2-3H3