3-[2-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate

Systemtic Name: 3-[2-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate Openeye Name: 3-[2-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoate CAS Name: 3-[2-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]pyrrol-1-yl]benzoate Traditional Name: 3-[2-[(E)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-keto-prop-1-enyl]pyrrol-1-yl]benzoate Formula: C25H19N4O3- MolecularWeight: 423.44336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)[O-])/C#N

InChI

InChI=1S/C25H20N4O3/c26-15-19(24(30)27-11-10-18-16-28-23-9-2-1-8-22(18)23)14-21-7-4-12-29(21)20-6-3-5-17(13-20)25(31)32/h1-9,12-14,16,28H,10-11H2,(H,27,30)(H,31,32)/p-1/b19-14+