(2S)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-oxidanylidene-pyrrolidine-2-carboxamide hydrate

Systemtic Name: (2S)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-oxidanylidene-pyrrolidine-2-carboxamide hydrate Openeye Name: (2S)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-oxo-pyrrolidine-2-carboxamide hydrate CAS Name: (2S)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-oxo-2-pyrrolidinecarboxamide hydrate IUPAC Name: (2S)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-oxopyrrolidine-2-carboxamide hydrate Traditional Name: (2S)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-keto-pyrrolidine-2-carboxamide hydrate Formula: C13H16ClN3O3 MolecularWeight: 297.73744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1CCC(=O)N1)C2=CC=CC=C2Cl.O

Isomeric SMILES

C/C(=N\NC(=O)[C@@H]1CCC(=O)N1)/C2=CC=CC=C2Cl.O

InChI

InChI=1S/C13H14ClN3O2.H2O/c1-8(9-4-2-3-5-10(9)14)16-17-13(19)11-6-7-12(18)15-11;/h2-5,11H,6-7H2,1H3,(H,15,18)(H,17,19);1H2/b16-8+;/t11-;/m0./s1