methyl 3-[5-(3-methoxy-3-oxidanylidene-propyl)-2,4-dinitro-phenyl]propanoate

Systemtic Name: methyl 3-[5-(3-methoxy-3-oxidanylidene-propyl)-2,4-dinitro-phenyl]propanoate Openeye Name: methyl 3-[5-(3-methoxy-3-oxo-propyl)-2,4-dinitro-phenyl]propanoate CAS Name: 3-[5-(3-methoxy-3-oxopropyl)-2,4-dinitrophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(3-methoxy-3-oxopropyl)-2,4-dinitrophenyl]propanoate Traditional Name: 3-[5-(3-keto-3-methoxy-propyl)-2,4-dinitro-phenyl]propionic acid methyl ester Formula: C14H16N2O8 MolecularWeight: 340.28544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCC(=O)OC

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCC(=O)OC

InChI

InChI=1S/C14H16N2O8/c1-23-13(17)5-3-9-7-10(4-6-14(18)24-2)12(16(21)22)8-11(9)15(19)20/h7-8H,3-6H2,1-2H3