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

Systemtic Name: (2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(3-nitroanilino)-2-(phenethylammonio)butyrate Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH2+]C(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H19N3O5/c22-17(20-14-7-4-8-15(11-14)21(25)26)12-16(18(23)24)19-10-9-13-5-2-1-3-6-13/h1-8,11,16,19H,9-10,12H2,(H,20,22)(H,23,24)/t16-/m1/s1