(E)-4-[(4-butylphenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(4-butylphenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-butylanilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-butylanilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-butylanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-butylanilino)-4-keto-but-2-enoic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H17NO3/c1-2-3-4-11-5-7-12(8-6-11)15-13(16)9-10-14(17)18/h5-10H,2-4H2,1H3,(H,15,16)(H,17,18)/b10-9+