(3R)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-3-(phenylmethyl)butanoate

Systemtic Name: (3R)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-3-(phenylmethyl)butanoate Openeye Name: (3R)-3-benzyl-4-(4-nitroanilino)-4-oxo-butanoate CAS Name: (3R)-4-(4-nitroanilino)-4-oxo-3-(phenylmethyl)butanoate IUPAC Name: (3R)-3-benzyl-4-(4-nitroanilino)-4-oxobutanoate Traditional Name: (3R)-3-benzyl-4-keto-4-(4-nitroanilino)butyrate Formula: C17H15N2O5- MolecularWeight: 327.3114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c20-16(21)11-13(10-12-4-2-1-3-5-12)17(22)18-14-6-8-15(9-7-14)19(23)24/h1-9,13H,10-11H2,(H,18,22)(H,20,21)/p-1/t13-/m1/s1