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

Systemtic Name: (2R)-2-azaniumyl-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-azaniumyl-4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-ammonio-4-(2-methoxy-4-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-azaniumyl-4-(2-methoxy-4-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-ammonio-4-keto-4-(2-methoxy-4-nitro-anilino)butyrate Formula: C11H13N3O6 MolecularWeight: 283.23742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H13N3O6/c1-20-9-4-6(14(18)19)2-3-8(9)13-10(15)5-7(12)11(16)17/h2-4,7H,5,12H2,1H3,(H,13,15)(H,16,17)/t7-/m1/s1