(2E,4E)-5-(dimethylamino)-2-nitro-4-(2-nitro-5-phenylmethoxy-phenyl)penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-(dimethylamino)-2-nitro-4-(2-nitro-5-phenylmethoxy-phenyl)penta-2,4-dienoic acid Openeye Name: (2E,4E)-4-(5-benzyloxy-2-nitro-phenyl)-5-(dimethylamino)-2-nitro-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-(dimethylamino)-2-nitro-4-(2-nitro-5-phenylmethoxyphenyl)penta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-(dimethylamino)-2-nitro-4-(2-nitro-5-phenylmethoxyphenyl)penta-2,4-dienoic acid Traditional Name: (2E,4E)-4-(5-benzoxy-2-nitro-phenyl)-5-(dimethylamino)-2-nitro-penta-2,4-dienoic acid Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(C=C(C(=O)O)[N+](=O)[O-])C1=C(C=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)/C=C(\C=C(/C(=O)O)\[N+](=O)[O-])/C1=C(C=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7/c1-21(2)12-15(10-19(20(24)25)23(28)29)17-11-16(8-9-18(17)22(26)27)30-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,24,25)/b15-12+,19-10+