4-azanyl-2-[(4-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(4-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(4-methyl-3-nitro-benzoyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(4-methyl-3-nitrobenzoyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[(4-methyl-3-nitro-benzoyl)amino]butyric acid Formula: C12H13N3O6 MolecularWeight: 295.24812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O6/c1-6-2-3-7(4-9(6)15(20)21)11(17)14-8(12(18)19)5-10(13)16/h2-4,8H,5H2,1H3,(H2,13,16)(H,14,17)(H,18,19)