(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C11H13N5O4S MolecularWeight: 311.31702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O4S/c1-2-3-6-15-9(12-13-14-15)7-20-11(17)8-4-5-10(21-8)16(18)19/h4-5H,2-3,6-7H2,1H3