3-[4-(3,5-dimethylphenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one

Systemtic Name: 3-[4-(3,5-dimethylphenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one Openeye Name: 3-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-6-nitro-chromen-2-one CAS Name: 3-[[4-(3,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-6-nitrochromen-2-one Traditional Name: 3-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-6-nitro-coumarin Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-14-9-15(2)11-18(10-14)23-5-7-24(8-6-23)21(26)19-13-16-12-17(25(28)29)3-4-20(16)30-22(19)27/h3-4,9-13H,5-8H2,1-2H3