(1-butyl-5-propyl-pyrrol-2-yl)-(3-nitrophenyl)methanone

Systemtic Name: (1-butyl-5-propyl-pyrrol-2-yl)-(3-nitrophenyl)methanone Openeye Name: (1-butyl-5-propyl-pyrrol-2-yl)-(3-nitrophenyl)methanone CAS Name: (1-butyl-5-propyl-2-pyrrolyl)-(3-nitrophenyl)methanone IUPAC Name: (1-butyl-5-propylpyrrol-2-yl)-(3-nitrophenyl)methanone Traditional Name: (1-butyl-5-propyl-pyrrol-2-yl)-(3-nitrophenyl)methanone Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC=C1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCC

Isomeric SMILES

CCCCN1C(=CC=C1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCC

InChI

InChI=1S/C18H22N2O3/c1-3-5-12-19-15(7-4-2)10-11-17(19)18(21)14-8-6-9-16(13-14)20(22)23/h6,8-11,13H,3-5,7,12H2,1-2H3