[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-propan-2-yloxybenzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-propan-2-yloxybenzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C16H18N2O4/c1-10(2)22-13-6-4-12(5-7-13)16(20)21-9-15(19)14(8-17)11(3)18/h4-7,10,14,18H,9H2,1-3H3/t14-/m0/s1