methyl (E)-3-(3,5-dimethoxy-2,4-dinitro-phenyl)prop-2-enoate

Systemtic Name: methyl (E)-3-(3,5-dimethoxy-2,4-dinitro-phenyl)prop-2-enoate Openeye Name: methyl (E)-3-(3,5-dimethoxy-2,4-dinitro-phenyl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethoxy-2,4-dinitrophenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(3,5-dimethoxy-2,4-dinitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethoxy-2,4-dinitro-phenyl)acrylic acid methyl ester Formula: C12H12N2O8 MolecularWeight: 312.23228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C=CC(=O)OC)[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=C(C(=C1)/C=C/C(=O)OC)[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O8/c1-20-8-6-7(4-5-9(15)21-2)10(13(16)17)12(22-3)11(8)14(18)19/h4-6H,1-3H3/b5-4+