3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-4-phenyl-isochromen-1-one

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-4-phenyl-isochromen-1-one Openeye Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-phenyl-isochromen-1-one CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-4-phenyl-2-benzopyran-1-one IUPAC Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-phenylisochromen-1-one Traditional Name: 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-phenyl-isocoumarin Formula: C26H21N3O5 MolecularWeight: 455.46204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O5/c30-25(28-16-14-27(15-17-28)19-10-12-20(13-11-19)29(32)33)24-23(18-6-2-1-3-7-18)21-8-4-5-9-22(21)26(31)34-24/h1-13H,14-17H2