(2R)-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate Openeye Name: (2R)-2-(3-hydroxypropylammonio)-4-(2-methyl-5-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-hydroxypropylammonio)-4-(2-methyl-5-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-hydroxypropylazaniumyl)-4-(2-methyl-5-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-hydroxypropylammonio)-4-keto-4-(2-methyl-5-nitro-anilino)butyrate Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)[O-])[NH2+]CCCO

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCO

InChI

InChI=1S/C14H19N3O6/c1-9-3-4-10(17(22)23)7-11(9)16-13(19)8-12(14(20)21)15-5-2-6-18/h3-4,7,12,15,18H,2,5-6,8H2,1H3,(H,16,19)(H,20,21)/t12-/m1/s1