2-[3-methyl-2-(4-nitrophenyl)carbonyl-imidazol-4-yl]ethanenitrile

Systemtic Name: 2-[3-methyl-2-(4-nitrophenyl)carbonyl-imidazol-4-yl]ethanenitrile Openeye Name: 2-[3-methyl-2-(4-nitrobenzoyl)imidazol-4-yl]acetonitrile CAS Name: 2-[3-methyl-2-[(4-nitrophenyl)-oxomethyl]-4-imidazolyl]acetonitrile IUPAC Name: 2-[3-methyl-2-(4-nitrobenzoyl)imidazol-4-yl]acetonitrile Traditional Name: 2-[3-methyl-2-(4-nitrobenzoyl)imidazol-4-yl]acetonitrile Formula: C13H10N4O3 MolecularWeight: 270.2435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O3/c1-16-11(6-7-14)8-15-13(16)12(18)9-2-4-10(5-3-9)17(19)20/h2-5,8H,6H2,1H3