3-[(2-methoxyphenyl)methyl]-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(2-methoxyphenyl)methyl]-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-methoxyphenyl)methyl]-4-(4-nitroanilino)-4-oxo-butanoic acid CAS Name: 3-[(2-methoxyphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 3-[(2-methoxyphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-nitroanilino)-3-o-anisyl-butyric acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-26-16-5-3-2-4-12(16)10-13(11-17(21)22)18(23)19-14-6-8-15(9-7-14)20(24)25/h2-9,13H,10-11H2,1H3,(H,19,23)(H,21,22)