3-[4-[2,5-bis(chloranyl)phenyl]piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one

Systemtic Name: 3-[4-[2,5-bis(chloranyl)phenyl]piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one Openeye Name: 3-[4-(2,5-dichlorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-chromen-2-one CAS Name: 3-[[4-(2,5-dichlorophenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(2,5-dichlorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitrochromen-2-one Traditional Name: 3-[4-(2,5-dichlorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-coumarin Formula: C21H17Cl2N3O6 MolecularWeight: 478.28218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H17Cl2N3O6/c1-31-18-11-14(26(29)30)8-12-9-15(21(28)32-19(12)18)20(27)25-6-4-24(5-7-25)17-10-13(22)2-3-16(17)23/h2-3,8-11H,4-7H2,1H3