(2-ethylpyrazol-3-yl) 4-[(4-cyclopropyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]-2-nitro-benzoate

Systemtic Name: (2-ethylpyrazol-3-yl) 4-[(4-cyclopropyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]-2-nitro-benzoate Openeye Name: (2-ethylpyrazol-3-yl) 4-[(4-cyclopropyl-5-oxo-tetrazol-1-yl)methyl]-2-nitro-benzoate CAS Name: 4-[(4-cyclopropyl-5-oxo-1-tetrazolyl)methyl]-2-nitrobenzoic acid (2-ethyl-3-pyrazolyl) ester IUPAC Name: (2-ethylpyrazol-3-yl) 4-[(4-cyclopropyl-5-oxotetrazol-1-yl)methyl]-2-nitrobenzoate Traditional Name: 4-[(4-cyclopropyl-5-keto-tetrazol-1-yl)methyl]-2-nitro-benzoic acid (2-ethylpyrazol-3-yl) ester Formula: C17H17N7O5 MolecularWeight: 399.36078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)OC(=O)C2=C(C=C(C=C2)CN3C(=O)N(N=N3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=CC=N1)OC(=O)C2=C(C=C(C=C2)CN3C(=O)N(N=N3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O5/c1-2-21-15(7-8-18-21)29-16(25)13-6-3-11(9-14(13)24(27)28)10-22-17(26)23(20-19-22)12-4-5-12/h3,6-9,12H,2,4-5,10H2,1H3