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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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