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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H21N5O6 MolecularWeight: 379.36784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O6/c1-4-6-7-20-15(17-18-19-20)10-27-16(22)11-8-13(25-3)14(26-5-2)9-12(11)21(23)24/h8-9H,4-7,10H2,1-3H3