6-chloranyl-7-ethyl-4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[4-(6-nitro-3-pyridyl)piperazino]methyl]coumarin Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O4/c1-2-14-9-19-17(11-18(14)22)15(10-21(27)30-19)13-24-5-7-25(8-6-24)16-3-4-20(23-12-16)26(28)29/h3-4,9-12H,2,5-8,13H2,1H3