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

Systemtic Name: (2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate Openeye Name: (2R)-2-(3-hydroxypropylammonio)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-hydroxypropylammonio)-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-hydroxypropylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-hydroxypropylammonio)-4-keto-4-(3-nitroanilino)butyrate Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6/c17-6-2-5-14-11(13(19)20)8-12(18)15-9-3-1-4-10(7-9)16(21)22/h1,3-4,7,11,14,17H,2,5-6,8H2,(H,15,18)(H,19,20)/t11-/m1/s1