3-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one

Systemtic Name: 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one Openeye Name: 3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-6-nitro-chromen-2-one CAS Name: 3-[[4-(3,4-dichlorophenyl)-1-piperazinyl]-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-6-nitrochromen-2-one Traditional Name: 3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-6-nitro-coumarin Formula: C20H15Cl2N3O5 MolecularWeight: 448.2562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H15Cl2N3O5/c21-16-3-1-13(11-17(16)22)23-5-7-24(8-6-23)19(26)15-10-12-9-14(25(28)29)2-4-18(12)30-20(15)27/h1-4,9-11H,5-8H2