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

Systemtic Name: cycloheptyl 4-methylidene-6-(4-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cycloheptyl 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 cycloheptyl ester IUPAC Name: cycloheptyl 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 cycloheptyl ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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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)OC3CCCCCC3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3CCCCCC3

InChI

InChI=1S/C19H23N3O5/c1-12-16(18(23)27-15-6-4-2-3-5-7-15)17(21-19(24)20-12)13-8-10-14(11-9-13)22(25)26/h8-11,15-17H,1-7H2,(H2,20,21,24)