ethyl 2,3-bis(3-nitrophenyl)-1H-1,2,3,4-tetrazole-5-carboxylate

Systemtic Name: ethyl 2,3-bis(3-nitrophenyl)-1H-1,2,3,4-tetrazole-5-carboxylate Openeye Name: ethyl 2,3-bis(3-nitrophenyl)-1H-tetrazole-5-carboxylate CAS Name: 2,3-bis(3-nitrophenyl)-1H-tetrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2,3-bis(3-nitrophenyl)-1H-tetrazole-5-carboxylate Traditional Name: 2,3-bis(3-nitrophenyl)-1H-tetrazole-5-carboxylic acid ethyl ester Formula: C16H14N6O6 MolecularWeight: 386.31896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(N(N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(N(N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O6/c1-2-28-16(23)15-17-19(11-5-3-7-13(9-11)21(24)25)20(18-15)12-6-4-8-14(10-12)22(26)27/h3-10H,2H2,1H3,(H,17,18)