4-[[(E)-4-(3-methoxyphenyl)-4-oxidanylidene-but-2-en-2-yl]amino]benzoic acid

Systemtic Name: 4-[[(E)-4-(3-methoxyphenyl)-4-oxidanylidene-but-2-en-2-yl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(3-methoxyphenyl)-1-methyl-3-oxo-prop-1-enyl]amino]benzoic acid CAS Name: 4-[[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]amino]benzoic acid IUPAC Name: 4-[[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]amino]benzoic acid Traditional Name: 4-[[(E)-3-keto-3-(3-methoxyphenyl)-1-methyl-prop-1-enyl]amino]benzoic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC(=CC=C1)OC)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)C1=CC(=CC=C1)OC)/NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H17NO4/c1-12(19-15-8-6-13(7-9-15)18(21)22)10-17(20)14-4-3-5-16(11-14)23-2/h3-11,19H,1-2H3,(H,21,22)/b12-10+