(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H16ClN3O4 MolecularWeight: 361.77964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)N2CCCC2=O

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)N2CCCC2=O

InChI

InChI=1S/C17H16ClN3O4/c1-10(20)12(8-19)15(22)9-25-17(24)11-4-5-13(18)14(7-11)21-6-2-3-16(21)23/h4-5,7,12,20H,2-3,6,9H2,1H3