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

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C16H12N6O5 MolecularWeight: 368.30368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NN=N2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NN=N2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O5/c17-15(23)10-4-5-12(14(7-10)22(25)26)8-27-16(24)11-2-1-3-13(6-11)21-9-18-19-20-21/h1-7,9H,8H2,(H2,17,23)