N-(4-bromanyl-2,6-dimethyl-phenyl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-3-nitro-4-piperidino-benzamide Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)Br

InChI

InChI=1S/C20H22BrN3O3/c1-13-10-16(21)11-14(2)19(13)22-20(25)15-6-7-17(18(12-15)24(26)27)23-8-4-3-5-9-23/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,25)