(3-methyl-4-nitro-phenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone Openeye Name: (3-methyl-4-nitro-phenyl)-[2-(4-pyridyl)pyrrolidin-1-yl]methanone CAS Name: (3-methyl-4-nitrophenyl)-(2-pyridin-4-yl-1-pyrrolidinyl)methanone IUPAC Name: (3-methyl-4-nitrophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone Traditional Name: (3-methyl-4-nitro-phenyl)-[2-(4-pyridyl)pyrrolidino]methanone Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCC2C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCC2C3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c1-12-11-14(4-5-15(12)20(22)23)17(21)19-10-2-3-16(19)13-6-8-18-9-7-13/h4-9,11,16H,2-3,10H2,1H3