[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OCC(C)C

InChI

InChI=1S/C21H24N2O7/c1-4-28-19-10-15(8-9-18(19)29-12-14(2)3)21(25)30-13-20(24)22-16-6-5-7-17(11-16)23(26)27/h5-11,14H,4,12-13H2,1-3H3,(H,22,24)