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

Systemtic Name: (2R)-2-(2-hydroxyethylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-hydroxyethylammonio)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-hydroxyethylammonio)-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-hydroxyethylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-hydroxyethylammonio)-4-keto-4-(3-nitroanilino)butyrate Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)[O-])[NH2+]CCO

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C[C@H](C(=O)[O-])[NH2+]CCO

InChI

InChI=1S/C12H15N3O6/c16-5-4-13-10(12(18)19)7-11(17)14-8-2-1-3-9(6-8)15(20)21/h1-3,6,10,13,16H,4-5,7H2,(H,14,17)(H,18,19)/t10-/m1/s1