2,6-bis[4-[(Z)-1-(dimethylamino)-3-oxidanylidene-3-phenyl-prop-1-en-2-yl]-3-nitro-phenyl]pyran-4-one

Systemtic Name: 2,6-bis[4-[(Z)-1-(dimethylamino)-3-oxidanylidene-3-phenyl-prop-1-en-2-yl]-3-nitro-phenyl]pyran-4-one Openeye Name: 2,6-bis[4-[(Z)-1-benzoyl-2-(dimethylamino)vinyl]-3-nitro-phenyl]pyran-4-one CAS Name: 2,6-bis[4-[(Z)-1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]-3-nitrophenyl]-4-pyranone IUPAC Name: 2,6-bis[4-[(Z)-1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]-3-nitrophenyl]pyran-4-one Traditional Name: 2,6-bis[4-[(Z)-1-benzoyl-2-(dimethylamino)vinyl]-3-nitro-phenyl]pyran-4-one Formula: C39H32N4O8 MolecularWeight: 684.69338

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(C1=C(C=C(C=C1)C2=CC(=O)C=C(O2)C3=CC(=C(C=C3)C(=CN(C)C)C(=O)C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)C5=CC=CC=C5

Isomeric SMILES

CN(/C=C(\C(=O)C1=CC=CC=C1)/C2=C(C=C(C=C2)C3=CC(=O)C=C(O3)C4=CC(=C(C=C4)/C(=C/N(C)C)/C(=O)C5=CC=CC=C5)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C39H32N4O8/c1-40(2)23-32(38(45)25-11-7-5-8-12-25)30-17-15-27(19-34(30)42(47)48)36-21-29(44)22-37(51-36)28-16-18-31(35(20-28)43(49)50)33(24-41(3)4)39(46)26-13-9-6-10-14-26/h5-24H,1-4H3/b32-23-,33-24-