5-[2,4-bis(chloranyl)-5-nitro-phenyl]-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[2,4-bis(chloranyl)-5-nitro-phenyl]-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(2,4-dichloro-5-nitro-phenyl)-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,2-dihydropyrazol-3-one CAS Name: 5-(2,4-dichloro-5-nitrophenyl)-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,2-dihydropyrazol-3-one IUPAC Name: 5-(2,4-dichloro-5-nitrophenyl)-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,2-dihydropyrazol-3-one Traditional Name: 5-(2,4-dichloro-5-nitro-phenyl)-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-pyrazolin-3-one Formula: C15H14Cl2N4O3 MolecularWeight: 369.20266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)C2=C(NNC2=O)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)C2=C(NNC2=O)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H14Cl2N4O3/c16-9-7-10(17)12(21(23)24)6-8(9)14-13(15(22)20-19-14)11-4-2-1-3-5-18-11/h6-7H,1-5H2,(H2,19,20,22)