3-[4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]chromen-2-one

Systemtic Name: 3-[4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonylphenyl]chromen-2-one Openeye Name: 3-[4-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]chromen-2-one CAS Name: 3-[4-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]phenyl]chromen-2-one Traditional Name: 3-[4-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]phenyl]coumarin Formula: C26H20ClN3O5 MolecularWeight: 489.9071

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)C3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C26H20ClN3O5/c27-20-9-10-22(23(16-20)30(33)34)28-11-13-29(14-12-28)25(31)18-7-5-17(6-8-18)21-15-19-3-1-2-4-24(19)35-26(21)32/h1-10,15-16H,11-14H2