1-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-furan-2-yl]-N-phenyl-methanimine

Systemtic Name: 1-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-furan-2-yl]-N-phenyl-methanimine Openeye Name: 1-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]-N-phenyl-methanimine CAS Name: 1-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-2-furanyl]-N-phenylmethanimine IUPAC Name: 1-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitrofuran-2-yl]-N-phenylmethanimine Traditional Name: [4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methylene-phenyl-amine Formula: C25H16N2O7 MolecularWeight: 456.40374

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(OC(=C3[N+](=O)[O-])C=NC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(OC(=C3[N+](=O)[O-])C=NC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H16N2O7/c28-27(29)24-22(12-26-17-4-2-1-3-5-17)34-25(16-7-9-19-21(11-16)33-14-31-19)23(24)15-6-8-18-20(10-15)32-13-30-18/h1-12H,13-14H2