(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-benzamidobenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-benzamidobenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-benzamidobenzoate CAS Name: 2-benzamidobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-benzamidobenzoate Traditional Name: 2-benzamidobenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H17N3O4/c1-13(22)16(11-21)18(24)12-27-20(26)15-9-5-6-10-17(15)23-19(25)14-7-3-2-4-8-14/h2-10,16,22H,12H2,1H3,(H,23,25)