[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)OC

InChI

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