N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-3-nitro-benzamide

Systemtic Name: N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-3-nitro-benzamide CAS Name: N-butyl-N-[(1-methyl-2-pyrrolyl)methyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-3-nitro-benzamide Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC=CN1C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O3/c1-3-4-11-19(13-16-9-6-10-18(16)2)17(21)14-7-5-8-15(12-14)20(22)23/h5-10,12H,3-4,11,13H2,1-2H3