2,2-dimethyl-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,2-dimethyl-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-dimethyl-4-(3-nitroanilino)-4-oxo-butanoic acid CAS Name: 2,2-dimethyl-4-(3-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2,2-dimethyl-4-(3-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-keto-2,2-dimethyl-4-(3-nitroanilino)butyric acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H14N2O5/c1-12(2,11(16)17)7-10(15)13-8-4-3-5-9(6-8)14(18)19/h3-6H,7H2,1-2H3,(H,13,15)(H,16,17)