4-[(4R,5S)-5-[(2-chlorophenyl)carbamoyl]-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]benzoate

Systemtic Name: 4-[(4R,5S)-5-[(2-chlorophenyl)carbamoyl]-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]benzoate Openeye Name: 4-[(4R,5S)-5-[(2-chlorophenyl)carbamoyl]-6-methylene-2-oxo-hexahydropyrimidin-4-yl]benzoate CAS Name: 4-[(4R,5S)-5-[(2-chloroanilino)-oxomethyl]-6-methylene-2-oxo-1,3-diazinan-4-yl]benzoate IUPAC Name: 4-[(4R,5S)-5-[(2-chlorophenyl)carbamoyl]-6-methylidene-2-oxo-1,3-diazinan-4-yl]benzoate Traditional Name: 4-[(4R,5S)-5-[(2-chlorophenyl)carbamoyl]-2-keto-6-methylene-hexahydropyrimidin-4-yl]benzoate Formula: C19H15ClN3O4- MolecularWeight: 384.7931

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=C(C=C2)C(=O)[O-])C(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=O)N1)C2=CC=C(C=C2)C(=O)[O-])C(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C19H16ClN3O4/c1-10-15(17(24)22-14-5-3-2-4-13(14)20)16(23-19(27)21-10)11-6-8-12(9-7-11)18(25)26/h2-9,15-16H,1H2,(H,22,24)(H,25,26)(H2,21,23,27)/p-1/t15-,16+/m1/s1