3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one

Systemtic Name: 3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one Openeye Name: 3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-chromen-2-one CAS Name: 3-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-8-methoxy-6-nitrochromen-2-one Traditional Name: 3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-coumarin Formula: C22H20ClN3O6 MolecularWeight: 457.8637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H20ClN3O6/c1-13-3-4-15(11-18(13)23)24-5-7-25(8-6-24)21(27)17-10-14-9-16(26(29)30)12-19(31-2)20(14)32-22(17)28/h3-4,9-12H,5-8H2,1-2H3