4-[(2,6-diethylphenyl)amino]-2,3-dimethyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[(2,6-diethylphenyl)amino]-2,3-dimethyl-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-(2,6-diethylanilino)-2,3-dimethyl-4-oxo-but-2-enoic acid CAS Name: 4-(2,6-diethylanilino)-2,3-dimethyl-4-oxo-2-butenoic acid IUPAC Name: 4-(2,6-diethylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid Traditional Name: 4-(2,6-diethylanilino)-4-keto-2,3-dimethyl-but-2-enoic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(=C(C)C(=O)O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(=C(C)C(=O)O)C

InChI

InChI=1S/C16H21NO3/c1-5-12-8-7-9-13(6-2)14(12)17-15(18)10(3)11(4)16(19)20/h7-9H,5-6H2,1-4H3,(H,17,18)(H,19,20)