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

Systemtic Name: (2R)-2-(3-methoxypropylazaniumyl)-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-methoxypropylammonio)-4-(2-methyl-5-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-methoxypropylammonio)-4-(2-methyl-5-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-methoxypropylazaniumyl)-4-(2-methyl-5-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(3-methoxypropylammonio)-4-(2-methyl-5-nitro-anilino)butyrate Formula: C15H21N3O6 MolecularWeight: 339.34374

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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+]CCCOC

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6/c1-10-4-5-11(18(22)23)8-12(10)17-14(19)9-13(15(20)21)16-6-3-7-24-2/h4-5,8,13,16H,3,6-7,9H2,1-2H3,(H,17,19)(H,20,21)/t13-/m1/s1