N-(4-bromanyl-3-methyl-phenyl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(4-bromo-3-methylphenyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-nitro-4-piperidino-benzamide Formula: C19H20BrN3O3 MolecularWeight: 418.2844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H20BrN3O3/c1-13-11-15(6-7-16(13)20)21-19(24)14-5-8-17(18(12-14)23(25)26)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,24)