2-[1-methyl-5-(4-nitrophenyl)carbonyl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[1-methyl-5-(4-nitrophenyl)carbonyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[1-methyl-5-(4-nitrobenzoyl)pyrrol-2-yl]acetonitrile CAS Name: 2-[1-methyl-5-[(4-nitrophenyl)-oxomethyl]-2-pyrrolyl]acetonitrile IUPAC Name: 2-[1-methyl-5-(4-nitrobenzoyl)pyrrol-2-yl]acetonitrile Traditional Name: 2-[1-methyl-5-(4-nitrobenzoyl)pyrrol-2-yl]acetonitrile Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC#N

Isomeric SMILES

CN1C(=CC=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC#N

InChI

InChI=1S/C14H11N3O3/c1-16-11(8-9-15)6-7-13(16)14(18)10-2-4-12(5-3-10)17(19)20/h2-7H,8H2,1H3