2-methyl-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-propan-2-yl-butanoic acid

Systemtic Name: 2-methyl-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-propan-2-yl-butanoic acid Openeye Name: 2-isopropyl-2-methyl-4-(3-nitroanilino)-4-oxo-butanoic acid CAS Name: 2-methyl-4-(3-nitroanilino)-4-oxo-2-propan-2-ylbutanoic acid IUPAC Name: 2-methyl-4-(3-nitroanilino)-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: 2-isopropyl-4-keto-2-methyl-4-(3-nitroanilino)butyric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-9(2)14(3,13(18)19)8-12(17)15-10-5-4-6-11(7-10)16(20)21/h4-7,9H,8H2,1-3H3,(H,15,17)(H,18,19)