ethyl 5-butyl-2-(2-nitrophenyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butyl-2-(2-nitrophenyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-2-(2-nitrophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate CAS Name: 5-butyl-2-(2-nitrophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-2-(2-nitrophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-2-(2-nitrophenyl)-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]pyrazole-3-carboxylic acid ethyl ester Formula: C30H29N7O4 MolecularWeight: 551.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C30H29N7O4/c1-3-5-12-25-24(28(30(38)41-4-2)36(33-25)26-13-8-9-14-27(26)37(39)40)19-20-15-17-21(18-16-20)22-10-6-7-11-23(22)29-31-34-35-32-29/h6-11,13-18H,3-5,12,19H2,1-2H3,(H,31,32,34,35)