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

Systemtic Name: (2R)-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate Openeye Name: (2R)-2-(3-isopropoxypropylammonio)-4-(2-methyl-5-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-4-(2-methyl-5-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylammonio)butanoate IUPAC Name: (2R)-4-(2-methyl-5-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)butanoate Traditional Name: (2R)-2-(3-isopropoxypropylammonio)-4-keto-4-(2-methyl-5-nitro-anilino)butyrate Formula: C17H25N3O6 MolecularWeight: 367.3969

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6/c1-11(2)26-8-4-7-18-15(17(22)23)10-16(21)19-14-9-13(20(24)25)6-5-12(14)3/h5-6,9,11,15,18H,4,7-8,10H2,1-3H3,(H,19,21)(H,22,23)/t15-/m1/s1