[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C14H8ClN5O4 MolecularWeight: 345.69742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NN=N2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C=NN=N2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H8ClN5O4/c15-12-6-1-9(7-13(12)20(22)23)14(21)24-11-4-2-10(3-5-11)19-8-16-17-18-19/h1-8H