N2-(4-chlorophenyl)-5-nitro-N4-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-N4-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-5-nitro-N4-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-5-nitro-N4-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-5-nitro-4-N-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(4-nitrobenzyl)amine Formula: C17H13ClN6O4 MolecularWeight: 400.77592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN6O4/c18-12-3-5-13(6-4-12)21-17-20-10-15(24(27)28)16(22-17)19-9-11-1-7-14(8-2-11)23(25)26/h1-8,10H,9H2,(H2,19,20,21,22)