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

Systemtic Name: 4-[(4-methyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-methyl-3-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(4-methyl-3-nitroanilino)-4-oxobutanoic acid IUPAC Name: 4-(4-methyl-3-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-methyl-3-nitro-anilino)butyric acid Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-7-2-3-8(6-9(7)13(17)18)12-10(14)4-5-11(15)16/h2-3,6H,4-5H2,1H3,(H,12,14)(H,15,16)