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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-acetamidobenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4/c1-9(17)13(7-16)14(20)8-22-15(21)11-3-5-12(6-4-11)18-10(2)19/h3-6,13,17H,8H2,1-2H3,(H,18,19)