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

Systemtic Name: (1-butyl-3,5-dipropyl-pyrrol-2-yl)-(3-nitrophenyl)methanone Openeye Name: (1-butyl-3,5-dipropyl-pyrrol-2-yl)-(3-nitrophenyl)methanone CAS Name: (1-butyl-3,5-dipropyl-2-pyrrolyl)-(3-nitrophenyl)methanone IUPAC Name: (1-butyl-3,5-dipropylpyrrol-2-yl)-(3-nitrophenyl)methanone Traditional Name: (1-butyl-3,5-dipropyl-pyrrol-2-yl)-(3-nitrophenyl)methanone Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-4-7-13-22-18(10-6-3)14-16(9-5-2)20(22)21(24)17-11-8-12-19(15-17)23(25)26/h8,11-12,14-15H,4-7,9-10,13H2,1-3H3