3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]isochroman-1-one Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H19N3O5/c24-19(18-13-14-3-1-2-4-17(14)20(25)28-18)22-11-9-21(10-12-22)15-5-7-16(8-6-15)23(26)27/h1-8,18H,9-13H2