4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylisochromen-1-one

Systemtic Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylisochromen-1-one Openeye Name: 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isochromen-1-one CAS Name: 4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-benzopyran-1-one IUPAC Name: 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isochromen-1-one Traditional Name: 4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isocoumarin Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=COC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=COC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H17N3O5/c24-19(18-13-28-20(25)17-4-2-1-3-16(17)18)22-11-9-21(10-12-22)14-5-7-15(8-6-14)23(26)27/h1-8,13H,9-12H2