ethyl (E)-3-[5-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2,4-dinitro-phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[5-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2,4-dinitro-phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2,4-dinitro-phenyl]prop-2-enoate CAS Name: (E)-3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,4-dinitrophenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,4-dinitrophenyl]prop-2-enoate Traditional Name: (E)-3-[5-[(E)-3-ethoxy-3-keto-prop-1-enyl]-2,4-dinitro-phenyl]acrylic acid ethyl ester Formula: C16H16N2O8 MolecularWeight: 364.30684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=CC(=O)OCC

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])/C=C/C(=O)OCC

InChI

InChI=1S/C16H16N2O8/c1-3-25-15(19)7-5-11-9-12(6-8-16(20)26-4-2)14(18(23)24)10-13(11)17(21)22/h5-10H,3-4H2,1-2H3/b7-5+,8-6+