(phenylmethyl) 4-methylidene-6-(4-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) 4-methylidene-6-(4-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl 4-methylene-6-(4-nitrophenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-(4-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methylidene-6-(4-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-(4-nitrophenyl)hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O5/c1-12-16(18(23)27-11-13-5-3-2-4-6-13)17(21-19(24)20-12)14-7-9-15(10-8-14)22(25)26/h2-10,16-17H,1,11H2,(H2,20,21,24)