(3R)-3-[(3,5-dimethylphenyl)methyl]-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3R)-3-[(3,5-dimethylphenyl)methyl]-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3R)-3-[(3,5-dimethylphenyl)methyl]-4-(4-nitroanilino)-4-oxo-butanoate CAS Name: (3R)-3-[(3,5-dimethylphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoate IUPAC Name: (3R)-3-[(3,5-dimethylphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoate Traditional Name: (3R)-3-(3,5-dimethylbenzyl)-4-keto-4-(4-nitroanilino)butyrate Formula: C19H19N2O5- MolecularWeight: 355.36456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-12-7-13(2)9-14(8-12)10-15(11-18(22)23)19(24)20-16-3-5-17(6-4-16)21(25)26/h3-9,15H,10-11H2,1-2H3,(H,20,24)(H,22,23)/p-1/t15-/m1/s1