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

Systemtic Name: (3R)-3-[(4-methylphenyl)methyl]-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (3R)-4-(4-nitroanilino)-4-oxo-3-(p-tolylmethyl)butanoic acid CAS Name: (3R)-3-[(4-methylphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoic acid IUPAC Name: (3R)-3-[(4-methylphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoic acid Traditional Name: (3R)-4-keto-3-(4-methylbenzyl)-4-(4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-12-2-4-13(5-3-12)10-14(11-17(21)22)18(23)19-15-6-8-16(9-7-15)20(24)25/h2-9,14H,10-11H2,1H3,(H,19,23)(H,21,22)/t14-/m1/s1