ethyl 1-(cyanomethyl)-2-methyl-7-oxidanylidene-3-(phenylcarbonyl)-4-prop-2-enyl-pyrrolo[3,2-b]pyridine-6-carboxylate

Systemtic Name: ethyl 1-(cyanomethyl)-2-methyl-7-oxidanylidene-3-(phenylcarbonyl)-4-prop-2-enyl-pyrrolo[3,2-b]pyridine-6-carboxylate Openeye Name: ethyl 4-allyl-3-benzoyl-1-(cyanomethyl)-2-methyl-7-oxo-pyrrolo[3,2-b]pyridine-6-carboxylate CAS Name: 3-benzoyl-1-(cyanomethyl)-2-methyl-7-oxo-4-prop-2-enyl-6-pyrrolo[3,2-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-(cyanomethyl)-2-methyl-7-oxo-4-prop-2-enylpyrrolo[3,2-b]pyridine-6-carboxylate Traditional Name: 4-allyl-3-benzoyl-1-(cyanomethyl)-7-keto-2-methyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid ethyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)N(C(=C2C(=O)C3=CC=CC=C3)C)CC#N)CC=C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)N(C(=C2C(=O)C3=CC=CC=C3)C)CC#N)CC=C

InChI

InChI=1S/C23H21N3O4/c1-4-12-25-14-17(23(29)30-5-2)22(28)20-19(25)18(15(3)26(20)13-11-24)21(27)16-9-7-6-8-10-16/h4,6-10,14H,1,5,12-13H2,2-3H3