3-[(Z)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[(Z)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[(Z)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-1H-indole-5-carboxylic acid CAS Name: 3-[(Z)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[(Z)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[(Z)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]-1H-indole-5-carboxylic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=CC2=CNC3=C2C=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C\C2=CNC3=C2C=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C21H17N3O3/c22-12-16(20(25)23-9-8-14-4-2-1-3-5-14)10-17-13-24-19-7-6-15(21(26)27)11-18(17)19/h1-7,10-11,13,24H,8-9H2,(H,23,25)(H,26,27)/b16-10-