4-[[(E)-3-anthracen-9-yl-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-anthracen-9-yl-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(9-anthryl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-(9-anthracenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-anthracen-9-yl-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(9-anthryl)-2-cyano-acryloyl]amino]benzoic acid Formula: C25H16N2O3 MolecularWeight: 392.40614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C(C#N)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H16N2O3/c26-15-19(24(28)27-20-11-9-16(10-12-20)25(29)30)14-23-21-7-3-1-5-17(21)13-18-6-2-4-8-22(18)23/h1-14H,(H,27,28)(H,29,30)/b19-14+