ethyl 3-cyano-3-(3,4-dimethoxy-2,6-dinitro-phenyl)propanoate

Systemtic Name: ethyl 3-cyano-3-(3,4-dimethoxy-2,6-dinitro-phenyl)propanoate Openeye Name: ethyl 3-cyano-3-(3,4-dimethoxy-2,6-dinitro-phenyl)propanoate CAS Name: 3-cyano-3-(3,4-dimethoxy-2,6-dinitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-cyano-3-(3,4-dimethoxy-2,6-dinitrophenyl)propanoate Traditional Name: 3-cyano-3-(3,4-dimethoxy-2,6-dinitro-phenyl)propionic acid ethyl ester Formula: C14H15N3O8 MolecularWeight: 353.2842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C#N)C1=C(C(=C(C=C1[N+](=O)[O-])OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C#N)C1=C(C(=C(C=C1[N+](=O)[O-])OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O8/c1-4-25-11(18)5-8(7-15)12-9(16(19)20)6-10(23-2)14(24-3)13(12)17(21)22/h6,8H,4-5H2,1-3H3