(3-cyano-2-oxidanylidene-chromen-7-yl) 3-pyrrol-1-ylbenzoate

Systemtic Name: (3-cyano-2-oxidanylidene-chromen-7-yl) 3-pyrrol-1-ylbenzoate Openeye Name: (3-cyano-2-oxo-chromen-7-yl) 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid (3-cyano-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-cyano-2-oxochromen-7-yl) 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid (3-cyano-2-keto-chromen-7-yl) ester Formula: C21H12N2O4 MolecularWeight: 356.33098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)C=C(C(=O)O4)C#N

Isomeric SMILES

C1=CN(C=C1)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)C=C(C(=O)O4)C#N

InChI

InChI=1S/C21H12N2O4/c22-13-16-10-14-6-7-18(12-19(14)27-21(16)25)26-20(24)15-4-3-5-17(11-15)23-8-1-2-9-23/h1-12H