4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-[4-(diethylamino)phenyl]acryloyl]amino]benzoic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H21N3O3/c1-3-24(4-2)19-11-5-15(6-12-19)13-17(14-22)20(25)23-18-9-7-16(8-10-18)21(26)27/h5-13H,3-4H2,1-2H3,(H,23,25)(H,26,27)/b17-13+