methyl 4-[2,2-dicyano-3-(4-methoxycarbonyl-2-nitro-phenyl)propyl]-3-nitro-benzoate

Systemtic Name: methyl 4-[2,2-dicyano-3-(4-methoxycarbonyl-2-nitro-phenyl)propyl]-3-nitro-benzoate Openeye Name: methyl 4-[2,2-dicyano-3-(4-methoxycarbonyl-2-nitro-phenyl)propyl]-3-nitro-benzoate CAS Name: 4-[2,2-dicyano-3-(4-methoxycarbonyl-2-nitrophenyl)propyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2,2-dicyano-3-(4-methoxycarbonyl-2-nitrophenyl)propyl]-3-nitrobenzoate Traditional Name: 4-[3-(4-carbomethoxy-2-nitro-phenyl)-2,2-dicyano-propyl]-3-nitro-benzoic acid methyl ester Formula: C21H16N4O8 MolecularWeight: 452.37374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CC(CC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])(C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CC(CC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])(C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O8/c1-32-19(26)13-3-5-15(17(7-13)24(28)29)9-21(11-22,12-23)10-16-6-4-14(20(27)33-2)8-18(16)25(30)31/h3-8H,9-10H2,1-2H3