(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-11(20)14(9-19)15(22)10-25-16(23)12-6-5-7-13(8-12)21-17(24)26-18(2,3)4/h5-8,14,20H,10H2,1-4H3,(H,21,24)