methyl 3-nitro-4-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethoxy]benzoate Openeye Name: methyl 4-[2-(2-isopropylanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[2-oxo-2-(2-propan-2-ylanilino)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-(2-propan-2-ylanilino)ethoxy]benzoate Traditional Name: 4-[2-(2-isopropylanilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-12(2)14-6-4-5-7-15(14)20-18(22)11-27-17-9-8-13(19(23)26-3)10-16(17)21(24)25/h4-10,12H,11H2,1-3H3,(H,20,22)