7-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-nitro-2-oxidanyl-chromen-4-one

Systemtic Name: 7-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-nitro-2-oxidanyl-chromen-4-one Openeye Name: 7-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-hydroxy-3-nitro-chromen-4-one CAS Name: 7-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]methyl]-2-hydroxy-3-nitro-1-benzopyran-4-one IUPAC Name: 7-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-hydroxy-3-nitrochromen-4-one Traditional Name: 7-[[4-(4-chlorobenzyl)piperazino]methyl]-2-hydroxy-3-nitro-chromone Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)C(=O)C(=C(O4)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)C(=O)C(=C(O4)O)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O5/c22-16-4-1-14(2-5-16)12-23-7-9-24(10-8-23)13-15-3-6-17-18(11-15)30-21(27)19(20(17)26)25(28)29/h1-6,11,27H,7-10,12-13H2