ethyl 3-nitro-5-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]benzoic acid ethyl ester Formula: C21H21N7O5 MolecularWeight: 451.43534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N7O5/c1-2-33-20(30)16-12-15(13-18(14-16)28(31)32)19(29)25-8-10-26(11-9-25)21-22-23-24-27(21)17-6-4-3-5-7-17/h3-7,12-14H,2,8-11H2,1H3