4-[(4-methyl-3-nitro-phenyl)carbamoylamino]-4-oxidanylidene-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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