7-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 7-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 7-[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethoxy]chromen-2-one CAS Name: 7-[2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethoxy]coumarin Formula: C21H18ClN3O6 MolecularWeight: 443.83712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C21H18ClN3O6/c22-15-3-5-17(18(11-15)25(28)29)23-7-9-24(10-8-23)20(26)13-30-16-4-1-14-2-6-21(27)31-19(14)12-16/h1-6,11-12H,7-10,13H2