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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C12H16N6O4 MolecularWeight: 308.29324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O4/c1-3-4-5-17-11(13-14-15-17)8-22-12(19)10-6-9(18(20)21)7-16(10)2/h6-7H,3-5,8H2,1-2H3