N-(2-cyano-4-nitro-phenyl)-1-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-1-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2-cyano-4-nitrophenyl)-1-[(5-phenyl-2-tetrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide Formula: C19H13N9O3 MolecularWeight: 415.36502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(N=N2)CN3C=CC(=N3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N=N2)CN3C=CC(=N3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H13N9O3/c20-11-14-10-15(28(30)31)6-7-16(14)21-19(29)17-8-9-26(23-17)12-27-24-18(22-25-27)13-4-2-1-3-5-13/h1-10H,12H2,(H,21,29)