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

Systemtic Name: 1-[3-[[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-(3-nitroanilino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H14N6O5 MolecularWeight: 394.34096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O5/c1-11(25)12-4-2-5-13(8-12)21-17-16(24(28)29)18(20-10-19-17)22-14-6-3-7-15(9-14)23(26)27/h2-10H,1H3,(H2,19,20,21,22)