5-[1-[4-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitro-pyrrol-2-yl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[1-[4-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitro-pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[(5-butyl-3-isopropyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitro-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitro-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitropyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(5-butyl-3-isopropyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitro-pyrrol-2-yl]-2H-tetrazole Formula: C21H25N9O2 MolecularWeight: 435.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C21H25N9O2/c1-4-5-6-18-22-20(14(2)3)25-29(18)13-15-7-9-16(10-8-15)28-12-11-17(30(31)32)19(28)21-23-26-27-24-21/h7-12,14H,4-6,13H2,1-3H3,(H,23,24,26,27)