(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H15N3O4 MolecularWeight: 361.3508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C20H15N3O4/c1-12(22)16(10-21)18(24)11-26-20(25)14-7-8-17-15(9-14)19(27-23-17)13-5-3-2-4-6-13/h2-9,16,22H,11H2,1H3