2-nitro-4-[2-(3-nitro-4-oxidanyl-5-prop-2-enyl-phenyl)propan-2-yl]-6-prop-2-enyl-phenolate

Systemtic Name: 2-nitro-4-[2-(3-nitro-4-oxidanyl-5-prop-2-enyl-phenyl)propan-2-yl]-6-prop-2-enyl-phenolate Openeye Name: 2-allyl-4-[1-(3-allyl-4-hydroxy-5-nitro-phenyl)-1-methyl-ethyl]-6-nitro-phenolate CAS Name: 4-[2-(4-hydroxy-3-nitro-5-prop-2-enylphenyl)propan-2-yl]-2-nitro-6-prop-2-enylphenolate IUPAC Name: 4-[2-(4-hydroxy-3-nitro-5-prop-2-enylphenyl)propan-2-yl]-2-nitro-6-prop-2-enylphenolate Traditional Name: 2-allyl-4-[1-(3-allyl-4-hydroxy-5-nitro-phenyl)-1-methyl-ethyl]-6-nitro-phenolate Formula: C21H21N2O6- MolecularWeight: 397.40124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C(=C1)[N+](=O)[O-])O)CC=C)C2=CC(=C(C(=C2)[N+](=O)[O-])[O-])CC=C

Isomeric SMILES

CC(C)(C1=CC(=C(C(=C1)[N+](=O)[O-])O)CC=C)C2=CC(=C(C(=C2)[N+](=O)[O-])[O-])CC=C

InChI

InChI=1S/C21H22N2O6/c1-5-7-13-9-15(11-17(19(13)24)22(26)27)21(3,4)16-10-14(8-6-2)20(25)18(12-16)23(28)29/h5-6,9-12,24-25H,1-2,7-8H2,3-4H3/p-1