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

Systemtic Name: 3-[1-[(4-methoxyphenyl)amino]-2-methyl-1-oxidanylidene-propan-2-yl]-4-nitro-benzoic acid Openeye Name: 3-[2-(4-methoxyanilino)-1,1-dimethyl-2-oxo-ethyl]-4-nitro-benzoic acid CAS Name: 3-[1-(4-methoxyanilino)-2-methyl-1-oxopropan-2-yl]-4-nitrobenzoic acid IUPAC Name: 3-[1-(4-methoxyanilino)-2-methyl-1-oxopropan-2-yl]-4-nitrobenzoic acid Traditional Name: 3-[2-keto-1,1-dimethyl-2-(p-anisidino)ethyl]-4-nitro-benzoic acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-18(2,17(23)19-12-5-7-13(26-3)8-6-12)14-10-11(16(21)22)4-9-15(14)20(24)25/h4-10H,1-3H3,(H,19,23)(H,21,22)