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

Systemtic Name: N-(2-ethyl-1,2,3,4-tetrazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-ethyltetrazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2-ethyl-5-tetrazolyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-ethyltetrazol-5-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-ethyltetrazol-5-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C14H17N7O3 MolecularWeight: 331.32988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN1N=C(N=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O3/c1-2-20-17-14(16-18-20)15-13(22)10-5-6-11(12(9-10)21(23)24)19-7-3-4-8-19/h5-6,9H,2-4,7-8H2,1H3,(H,15,17,22)