[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7/c1-11(27-18(22)13-6-4-5-7-14(13)20(23)24)17(21)19-12-8-9-15(25-2)16(10-12)26-3/h4-11H,1-3H3,(H,19,21)