1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-4-nitro-pyrrole-2-carbonitrile

Systemtic Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-4-nitro-pyrrole-2-carbonitrile Openeye Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-4-nitro-pyrrole-2-carbonitrile CAS Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-4-nitro-2-pyrrolecarbonitrile IUPAC Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-4-nitropyrrole-2-carbonitrile Traditional Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-4-nitro-pyrrole-2-carbonitrile Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C=C(C=C3C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C=C(C=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O2/c1-3-5-7-21-24-22(8-6-4-2)27(25-21)15-17-9-11-18(12-10-17)26-16-20(28(29)30)13-19(26)14-23/h9-13,16H,3-8,15H2,1-2H3