N-[benzotriazol-1-yl-[4-[bis(2-methylpropyl)amino]-3-nitro-phenyl]methyl]pyridin-2-amine

Systemtic Name: N-[benzotriazol-1-yl-[4-[bis(2-methylpropyl)amino]-3-nitro-phenyl]methyl]pyridin-2-amine Openeye Name: N-[benzotriazol-1-yl-[4-(diisobutylamino)-3-nitro-phenyl]methyl]pyridin-2-amine CAS Name: N-[1-benzotriazolyl-[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]methyl]-2-pyridinamine IUPAC Name: N-[benzotriazol-1-yl-[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]methyl]pyridin-2-amine Traditional Name: [4-[benzotriazol-1-yl-(2-pyridylamino)methyl]-2-nitro-phenyl]-diisobutyl-amine Formula: C26H31N7O2 MolecularWeight: 473.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(NC2=CC=CC=N2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(NC2=CC=CC=N2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C26H31N7O2/c1-18(2)16-31(17-19(3)4)23-13-12-20(15-24(23)33(34)35)26(28-25-11-7-8-14-27-25)32-22-10-6-5-9-21(22)29-30-32/h5-15,18-19,26H,16-17H2,1-4H3,(H,27,28)