ethyl (4E)-4-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-6-methyl-2-phenyl-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4E)-4-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-6-methyl-2-phenyl-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4E)-4-(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-6-methyl-2-phenyl-1H-pyrimidine-5-carboxylate CAS Name: (4E)-4-(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-6-methyl-2-phenyl-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-6-methyl-2-phenyl-1H-pyrimidine-5-carboxylate Traditional Name: (4E)-4-(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)-6-methyl-2-phenyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1=C2C=C(C(=O)C(=C2)OC)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C\1=C(NC(=N/C1=C/2\C=C(C(=O)C(=C2)OC)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C21H19N3O6/c1-4-30-21(26)17-12(2)22-20(13-8-6-5-7-9-13)23-18(17)14-10-15(24(27)28)19(25)16(11-14)29-3/h5-11H,4H2,1-3H3,(H,22,23)/b18-14+