7-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-[[4-(3-nitrophenyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-[[4-(3-nitrophenyl)piperazino]methyl]coumarin Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c24-20-7-6-16-5-4-15(12-19(16)27-20)14-21-8-10-22(11-9-21)17-2-1-3-18(13-17)23(25)26/h1-7,12-13H,8-11,14H2