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

Systemtic Name: 7-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-(4-nitrophenyl)piperazino]methyl]coumarin Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-28-18-6-7-19-15(12-21(25)29-20(19)13-18)14-22-8-10-23(11-9-22)16-2-4-17(5-3-16)24(26)27/h2-7,12-13H,8-11,14H2,1H3