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

Systemtic Name: 3-[(4-methylphenyl)methyl]-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-nitroanilino)-4-oxo-3-(p-tolylmethyl)butanoic acid CAS Name: 3-[(4-methylphenyl)methyl]-4-(3-nitroanilino)-4-oxobutanoic acid IUPAC Name: 3-[(4-methylphenyl)methyl]-4-(3-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-keto-3-(4-methylbenzyl)-4-(3-nitroanilino)butyric acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-12-5-7-13(8-6-12)9-14(10-17(21)22)18(23)19-15-3-2-4-16(11-15)20(24)25/h2-8,11,14H,9-10H2,1H3,(H,19,23)(H,21,22)