3-[[2-(4-nitrophenyl)carbonylpyrrol-1-yl]methyl]chromen-2-one

Systemtic Name: 3-[[2-(4-nitrophenyl)carbonylpyrrol-1-yl]methyl]chromen-2-one Openeye Name: 3-[[2-(4-nitrobenzoyl)pyrrol-1-yl]methyl]chromen-2-one CAS Name: 3-[[2-[(4-nitrophenyl)-oxomethyl]-1-pyrrolyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-[[2-(4-nitrobenzoyl)pyrrol-1-yl]methyl]chromen-2-one Traditional Name: 3-[[2-(4-nitrobenzoyl)pyrrol-1-yl]methyl]coumarin Formula: C21H14N2O5 MolecularWeight: 374.34626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)CN3C=CC=C3C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)CN3C=CC=C3C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5/c24-20(14-7-9-17(10-8-14)23(26)27)18-5-3-11-22(18)13-16-12-15-4-1-2-6-19(15)28-21(16)25/h1-12H,13H2