4-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-morpholin-4-yl-2-(4-nitrophenyl)-1H-pyrazol-3-one

Systemtic Name: 4-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-morpholin-4-yl-2-(4-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 4-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-morpholino-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 4-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-(4-morpholinyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 4-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-morpholin-4-yl-2-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 4-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-morpholino-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C21H20N4O6 MolecularWeight: 424.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C(NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4)C=CC1=O

Isomeric SMILES

COC1=CC(=CC2=C(NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4)C=CC1=O

InChI

InChI=1S/C21H20N4O6/c1-30-19-13-14(2-7-18(19)26)12-17-20(23-8-10-31-11-9-23)22-24(21(17)27)15-3-5-16(6-4-15)25(28)29/h2-7,12-13,22H,8-11H2,1H3