methyl 3-[1-[(4-methoxyphenyl)amino]-2-methyl-1-oxidanylidene-propan-2-yl]-4-nitro-benzoate

Systemtic Name: methyl 3-[1-[(4-methoxyphenyl)amino]-2-methyl-1-oxidanylidene-propan-2-yl]-4-nitro-benzoate Openeye Name: methyl 3-[2-(4-methoxyanilino)-1,1-dimethyl-2-oxo-ethyl]-4-nitro-benzoate CAS Name: 3-[1-(4-methoxyanilino)-2-methyl-1-oxopropan-2-yl]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[1-(4-methoxyanilino)-2-methyl-1-oxopropan-2-yl]-4-nitrobenzoate Traditional Name: 3-[2-keto-1,1-dimethyl-2-(p-anisidino)ethyl]-4-nitro-benzoic acid methyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c1-19(2,18(23)20-13-6-8-14(26-3)9-7-13)15-11-12(17(22)27-4)5-10-16(15)21(24)25/h5-11H,1-4H3,(H,20,23)