(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O4/c1-2-3-10-22-16(18-19-20-22)12-27-17(24)13-6-7-14(15(11-13)23(25)26)21-8-4-5-9-21/h6-7,11H,2-5,8-10,12H2,1H3