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

Systemtic Name: (3R)-3-[(3-methoxyphenyl)methyl]-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3R)-3-[(3-methoxyphenyl)methyl]-4-(4-nitroanilino)-4-oxo-butanoate CAS Name: (3R)-3-[(3-methoxyphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoate IUPAC Name: (3R)-3-[(3-methoxyphenyl)methyl]-4-(4-nitroanilino)-4-oxobutanoate Traditional Name: (3R)-4-keto-3-m-anisyl-4-(4-nitroanilino)butyrate Formula: C18H17N2O6- MolecularWeight: 357.33738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(CC(=O)[O-])C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C[C@H](CC(=O)[O-])C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-26-16-4-2-3-12(10-16)9-13(11-17(21)22)18(23)19-14-5-7-15(8-6-14)20(24)25/h2-8,10,13H,9,11H2,1H3,(H,19,23)(H,21,22)/p-1/t13-/m1/s1