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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C21H21ClN3O4+ MolecularWeight: 414.86214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O4/c1-14-10-20-18(12-19(14)22)15(11-21(26)29-20)13-23-6-8-24(9-7-23)16-2-4-17(5-3-16)25(27)28/h2-5,10-12H,6-9,13H2,1H3/p+1