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

Systemtic Name: cyclopentyl 4-methylidene-6-(3-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cyclopentyl 4-methylene-6-(3-nitrophenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-methylidene-6-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-(3-nitrophenyl)hexahydropyrimidine-5-carboxylic acid cyclopentyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCC3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCC3

InChI

InChI=1S/C17H19N3O5/c1-10-14(16(21)25-13-7-2-3-8-13)15(19-17(22)18-10)11-5-4-6-12(9-11)20(23)24/h4-6,9,13-15H,1-3,7-8H2,(H2,18,19,22)