3-[(5-nitro-2-pyrrol-1-yl-phenyl)-oxidanyl-methyl]but-3-en-2-one

Systemtic Name: 3-[(5-nitro-2-pyrrol-1-yl-phenyl)-oxidanyl-methyl]but-3-en-2-one Openeye Name: 3-[hydroxy-(5-nitro-2-pyrrol-1-yl-phenyl)methyl]but-3-en-2-one CAS Name: 3-[hydroxy-[5-nitro-2-(1-pyrrolyl)phenyl]methyl]-3-buten-2-one IUPAC Name: 3-[hydroxy-(5-nitro-2-pyrrol-1-ylphenyl)methyl]but-3-en-2-one Traditional Name: 3-[hydroxy-(5-nitro-2-pyrrol-1-yl-phenyl)methyl]but-3-en-2-one Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C)C(C1=C(C=CC(=C1)[N+](=O)[O-])N2C=CC=C2)O

Isomeric SMILES

CC(=O)C(=C)C(C1=C(C=CC(=C1)[N+](=O)[O-])N2C=CC=C2)O

InChI

InChI=1S/C15H14N2O4/c1-10(11(2)18)15(19)13-9-12(17(20)21)5-6-14(13)16-7-3-4-8-16/h3-9,15,19H,1H2,2H3