[3-[(E)-3-azanyl-3-oxidanylidene-2-phenyl-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-6-yl] benzoate

Systemtic Name: [3-[(E)-3-azanyl-3-oxidanylidene-2-phenyl-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-6-yl] benzoate Openeye Name: [3-[(E)-3-amino-3-oxo-2-phenyl-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-6-yl] benzoate CAS Name: benzoic acid [3-[(E)-3-amino-3-oxo-2-phenylprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-6-yl] ester IUPAC Name: [3-[(E)-3-amino-3-oxo-2-phenylprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-6-yl] benzoate Traditional Name: benzoic acid [3-[(E)-3-amino-3-keto-2-phenyl-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-6-yl] ester Formula: C23H17N3O3 MolecularWeight: 383.39938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC2=CNC3=C2C=CC(=N3)OC(=O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\C2=CNC3=C2C=CC(=N3)OC(=O)C4=CC=CC=C4)/C(=O)N

InChI

InChI=1S/C23H17N3O3/c24-21(27)19(15-7-3-1-4-8-15)13-17-14-25-22-18(17)11-12-20(26-22)29-23(28)16-9-5-2-6-10-16/h1-14H,(H2,24,27)(H,25,26)/b19-13+