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

Systemtic Name: 7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-methyl-4-[[4-(4-nitrophenyl)piperazino]methyl]coumarin Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-15-2-7-19-16(13-21(25)28-20(19)12-15)14-22-8-10-23(11-9-22)17-3-5-18(6-4-17)24(26)27/h2-7,12-13H,8-11,14H2,1H3