N-(2-butyl-1,2,3,4-tetrazol-5-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(2-butyl-1,2,3,4-tetrazol-5-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(2-butyltetrazol-5-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(2-butyl-5-tetrazolyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(2-butyltetrazol-5-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(2-butyltetrazol-5-yl)-3-nitro-4-piperidino-benzamide Formula: C17H23N7O3 MolecularWeight: 373.40962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O3/c1-2-3-11-23-20-17(19-21-23)18-16(25)13-7-8-14(15(12-13)24(26)27)22-9-5-4-6-10-22/h7-8,12H,2-6,9-11H2,1H3,(H,18,20,25)