(2R)-2-[(3-methylphenyl)methyl]-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[(3-methylphenyl)methyl]-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(m-tolylmethyl)-4-(4-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-[(3-methylphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[(3-methylphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(3-methylbenzyl)-4-(4-nitroanilino)butyrate Formula: C18H17N2O5- MolecularWeight: 341.33798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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