4-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-7,8-dimethyl-coumarin Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H22ClN3O4/c1-14-3-5-18-16(11-21(27)30-22(18)15(14)2)13-24-7-9-25(10-8-24)19-6-4-17(23)12-20(19)26(28)29/h3-6,11-12H,7-10,13H2,1-2H3