(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-pyrrol-1-ylbenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-pyrrol-1-ylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=C2

InChI

InChI=1S/C17H15N3O3/c1-12(19)15(10-18)16(21)11-23-17(22)13-4-6-14(7-5-13)20-8-2-3-9-20/h2-9,15,19H,11H2,1H3