(2R)-2-azaniumyl-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-azaniumyl-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-azaniumyl-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-ammonio-4-(4-methyl-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-azaniumyl-4-(4-methyl-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-ammonio-4-keto-4-(4-methyl-2-nitro-anilino)butyrate Formula: C11H13N3O5 MolecularWeight: 267.23802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5/c1-6-2-3-8(9(4-6)14(18)19)13-10(15)5-7(12)11(16)17/h2-4,7H,5,12H2,1H3,(H,13,15)(H,16,17)/t7-/m1/s1