(4-nitrophenyl)methyl 2-(2-methyl-1,2,3,4-tetrazol-5-yl)-2-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-methyl-1,2,3,4-tetrazol-5-yl)-2-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-methyltetrazol-5-yl)-2-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-mercapto-2-(2-methyl-5-tetrazolyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-methyltetrazol-5-yl)-2-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-mercapto-2-(2-methyltetrazol-5-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)C2(CCCN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1N=C(N=N1)C2(CCCN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C14H16N6O4S/c1-18-16-12(15-17-18)14(25)7-2-8-19(14)13(21)24-9-10-3-5-11(6-4-10)20(22)23/h3-6,25H,2,7-9H2,1H3