(4-methylphenyl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: (4-methylphenyl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: (3-nitro-4-pyrrolidin-1-yl-phenyl)-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: (4-methylphenyl)-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: (3-nitro-4-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=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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