N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine

Systemtic Name: N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine Openeye Name: N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine CAS Name: N-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-2-methyl-8-quinolinamine IUPAC Name: N-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C20H14N8O2 MolecularWeight: 398.37756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4)C=C1

InChI

InChI=1S/C20H14N8O2/c1-12-9-10-13-5-4-7-15(17(13)23-12)24-19-18(28(29)30)20(22-11-21-19)27-16-8-3-2-6-14(16)25-26-27/h2-11H,1H3,(H,21,22,24)