(4-aminocarbonyl-2-nitro-phenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate CAS Name: 3-(1-tetrazolyl)-2-thiophenecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate Traditional Name: 3-(tetrazol-1-yl)thiophene-2-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C14H10N6O5S MolecularWeight: 374.3314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)C2=C(C=CS2)N3C=NN=N3

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)C2=C(C=CS2)N3C=NN=N3

InChI

InChI=1S/C14H10N6O5S/c15-13(21)8-1-2-9(11(5-8)20(23)24)6-25-14(22)12-10(3-4-26-12)19-7-16-17-18-19/h1-5,7H,6H2,(H2,15,21)