N-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxo-chromen-7-yl]acetamide CAS Name: N-[4-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[4-(4-nitrophenyl)piperazino]methyl]chromen-7-yl]acetamide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-15(27)23-17-2-7-20-16(12-22(28)31-21(20)13-17)14-24-8-10-25(11-9-24)18-3-5-19(6-4-18)26(29)30/h2-7,12-13H,8-11,14H2,1H3,(H,23,27)