[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(tetrazol-1-yl)benzoate CAS Name: 2-(1-tetrazolyl)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate Traditional Name: 2-(tetrazol-1-yl)benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H13N5O5 MolecularWeight: 367.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C=NN=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C=NN=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5/c1-11-6-7-12(8-15(11)22(25)26)16(23)9-27-17(24)13-4-2-3-5-14(13)21-10-18-19-20-21/h2-8,10H,9H2,1H3