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

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C14H12N6O4 MolecularWeight: 328.28288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O4/c1-18-8-11(20(22)23)7-12(18)14(21)24-9-13-15-16-17-19(13)10-5-3-2-4-6-10/h2-8H,9H2,1H3