1-[3-[[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-(4-phenyldiazenylanilino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-nitro-6-(4-phenyldiazenylanilino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C24H19N7O3 MolecularWeight: 453.45276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)N=NC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C24H19N7O3/c1-16(32)17-6-5-9-21(14-17)28-24-22(31(33)34)23(25-15-26-24)27-18-10-12-20(13-11-18)30-29-19-7-3-2-4-8-19/h2-15H,1H3,(H2,25,26,27,28)