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

Systemtic Name: 3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one Openeye Name: 3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-6-nitro-chromen-2-one CAS Name: 3-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-6-nitrochromen-2-one Traditional Name: 3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-6-nitro-coumarin Formula: C21H18ClN3O5 MolecularWeight: 427.83772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)Cl

InChI

InChI=1S/C21H18ClN3O5/c1-13-2-3-15(12-18(13)22)23-6-8-24(9-7-23)20(26)17-11-14-10-16(25(28)29)4-5-19(14)30-21(17)27/h2-5,10-12H,6-9H2,1H3