3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one Openeye Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-chromen-2-one CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitrochromen-2-one Traditional Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-coumarin Formula: C21H18ClN3O6 MolecularWeight: 443.83712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O6/c1-30-18-12-16(25(28)29)9-13-10-17(21(27)31-19(13)18)20(26)24-7-5-23(6-8-24)15-4-2-3-14(22)11-15/h2-4,9-12H,5-8H2,1H3