[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=C(C=C1)N2CCCC2=O)/N

InChI

InChI=1S/C17H17N3O4/c1-11(19)14(9-18)15(21)10-24-17(23)12-4-6-13(7-5-12)20-8-2-3-16(20)22/h4-7H,2-3,8,10,19H2,1H3/b14-11+