4-[(E)-2-cyano-3-[(4-morpholin-4-ylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-[(4-morpholin-4-ylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(4-morpholinoanilino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-[4-(4-morpholinyl)anilino]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(4-morpholin-4-ylanilino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-(4-morpholinoanilino)prop-1-enyl]benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C(=CC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C21H19N3O4/c22-14-17(13-15-1-3-16(4-2-15)21(26)27)20(25)23-18-5-7-19(8-6-18)24-9-11-28-12-10-24/h1-8,13H,9-12H2,(H,23,25)(H,26,27)/b17-13+