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

Systemtic Name: 6-nitro-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzoylpiperazine-1-carbonyl)-6-nitro-chromen-2-one CAS Name: 3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-(4-benzoylpiperazine-1-carbonyl)-6-nitrochromen-2-one Traditional Name: 3-(4-benzoylpiperazine-1-carbonyl)-6-nitro-coumarin Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H17N3O6/c25-19(14-4-2-1-3-5-14)22-8-10-23(11-9-22)20(26)17-13-15-12-16(24(28)29)6-7-18(15)30-21(17)27/h1-7,12-13H,8-11H2