3-chloranyl-1-(3-nitrophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(3-nitrophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(3-nitrophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(3-nitrophenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(3-nitrophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(3-nitrophenyl)-4-[4-(2-pyrimidyl)piperazino]-3-pyrroline-2,5-quinone Formula: C18H15ClN6O4 MolecularWeight: 414.8025

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl)C4=NC=CC=N4

InChI

InChI=1S/C18H15ClN6O4/c19-14-15(22-7-9-23(10-8-22)18-20-5-2-6-21-18)17(27)24(16(14)26)12-3-1-4-13(11-12)25(28)29/h1-6,11H,7-10H2