4-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)acryloyl]amino]benzoate Formula: C20H14N3O3- MolecularWeight: 344.34346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H15N3O3/c1-12-17(16-4-2-3-5-18(16)22-12)10-14(11-21)19(24)23-15-8-6-13(7-9-15)20(25)26/h2-10,22H,1H3,(H,23,24)(H,25,26)/p-1/b14-10+