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

Systemtic Name: 3-[4-(4-methylphenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one Openeye Name: 6-nitro-3-[4-(p-tolyl)piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(4-methylphenyl)-1-piperazinyl]-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(4-methylphenyl)piperazine-1-carbonyl]-6-nitrochromen-2-one Traditional Name: 6-nitro-3-[4-(p-tolyl)piperazine-1-carbonyl]coumarin Formula: C21H19N3O5 MolecularWeight: 393.39266

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-14-2-4-16(5-3-14)22-8-10-23(11-9-22)20(25)18-13-15-12-17(24(27)28)6-7-19(15)29-21(18)26/h2-7,12-13H,8-11H2,1H3