(4-methylphenyl)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: (4-methylphenyl)-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone Openeye Name: (5-nitro-2-pyrrolidin-1-yl-phenyl)-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[5-nitro-2-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: (4-methylphenyl)-(5-nitro-2-pyrrolidin-1-ylphenyl)methanone Traditional Name: (5-nitro-2-pyrrolidino-phenyl)-(p-tolyl)methanone Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C18H18N2O3/c1-13-4-6-14(7-5-13)18(21)16-12-15(20(22)23)8-9-17(16)19-10-2-3-11-19/h4-9,12H,2-3,10-11H2,1H3