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

Systemtic Name: phenethyl 4-methylidene-6-(4-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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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)OCCC3=CC=CC=C3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5/c1-13-17(19(24)28-12-11-14-5-3-2-4-6-14)18(22-20(25)21-13)15-7-9-16(10-8-15)23(26)27/h2-10,17-18H,1,11-12H2,(H2,21,22,25)