2-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-(4-nitrobenzoyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-(4-nitrobenzoyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-(4-nitrobenzoyl)piperazino]cyclohepta-2,4,6-trien-1-one Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=CC2=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=CC2=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c22-17-5-3-1-2-4-16(17)19-10-12-20(13-11-19)18(23)14-6-8-15(9-7-14)21(24)25/h1-9H,10-13H2