ethyl 2-acetamido-2-cyano-3-[3-(2-ethoxy-2-oxidanylidene-ethoxy)-4-nitro-phenyl]propanoate

Systemtic Name: ethyl 2-acetamido-2-cyano-3-[3-(2-ethoxy-2-oxidanylidene-ethoxy)-4-nitro-phenyl]propanoate Openeye Name: ethyl 2-acetamido-2-cyano-3-[3-(2-ethoxy-2-oxo-ethoxy)-4-nitro-phenyl]propanoate CAS Name: 2-acetamido-2-cyano-3-[3-(2-ethoxy-2-oxoethoxy)-4-nitrophenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-2-cyano-3-[3-(2-ethoxy-2-oxoethoxy)-4-nitrophenyl]propanoate Traditional Name: 2-acetamido-2-cyano-3-[3-(2-ethoxy-2-keto-ethoxy)-4-nitro-phenyl]propionic acid ethyl ester Formula: C18H21N3O8 MolecularWeight: 407.37464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=CC(=C1)CC(C#N)(C(=O)OCC)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)COC1=C(C=CC(=C1)CC(C#N)(C(=O)OCC)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O8/c1-4-27-16(23)10-29-15-8-13(6-7-14(15)21(25)26)9-18(11-19,20-12(3)22)17(24)28-5-2/h6-8H,4-5,9-10H2,1-3H3,(H,20,22)