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

Systemtic Name: ethyl (4E)-6-methyl-4-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4E)-6-methyl-4-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-1H-pyrimidine-5-carboxylate CAS Name: (4E)-6-methyl-4-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-2-phenyl-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E)-6-methyl-4-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-2-phenyl-1H-pyrimidine-5-carboxylate Traditional Name: (4E)-4-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)-6-methyl-2-phenyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5/c1-3-28-20(25)17-12(2)21-19(13-7-5-4-6-8-13)22-18(17)14-9-10-16(24)15(11-14)23(26)27/h4-11H,3H2,1-2H3,(H,21,22)/b18-14+