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

Systemtic Name: N-(2-butyl-1,2,3,4-tetrazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-butyltetrazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2-butyl-5-tetrazolyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-butyltetrazol-5-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-butyltetrazol-5-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C16H21N7O3 MolecularWeight: 359.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O3/c1-2-3-10-22-19-16(18-20-22)17-15(24)12-6-7-13(14(11-12)23(25)26)21-8-4-5-9-21/h6-7,11H,2-5,8-10H2,1H3,(H,17,19,24)