dimethyl 5-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enoxy]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(E)-4-amino-3-cyano-2-oxo-pent-3-enoxy]benzene-1,3-dicarboxylate CAS Name: 5-[(E)-4-amino-3-cyano-2-oxopent-3-enoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(E)-4-amino-3-cyano-2-oxopent-3-enoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[(E)-4-amino-3-cyano-2-keto-pent-3-enoxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)/N

InChI

InChI=1S/C16H16N2O6/c1-9(18)13(7-17)14(19)8-24-12-5-10(15(20)22-2)4-11(6-12)16(21)23-3/h4-6H,8,18H2,1-3H3/b13-9+