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

Systemtic Name: 2,2-diethyl-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-(3-nitroanilino)-4-oxo-butanoic acid CAS Name: 2,2-diethyl-4-(3-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-4-(3-nitroanilino)-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-keto-4-(3-nitroanilino)butyric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-3-14(4-2,13(18)19)9-12(17)15-10-6-5-7-11(8-10)16(20)21/h5-8H,3-4,9H2,1-2H3,(H,15,17)(H,18,19)