(Z)-4-[(4-hexylphenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-[(4-hexylphenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-(4-hexylanilino)-4-oxo-but-2-enoic acid CAS Name: (Z)-4-(4-hexylanilino)-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-(4-hexylanilino)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-(4-hexylanilino)-4-keto-but-2-enoic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC(=O)/C=C\C(=O)O

InChI

InChI=1S/C16H21NO3/c1-2-3-4-5-6-13-7-9-14(10-8-13)17-15(18)11-12-16(19)20/h7-12H,2-6H2,1H3,(H,17,18)(H,19,20)/b12-11-