N-[(E)-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-furan-2-yl]methylideneamino]aniline

Systemtic Name: N-[(E)-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-furan-2-yl]methylideneamino]aniline Openeye Name: N-[(E)-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methyleneamino]aniline CAS Name: N-[(E)-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-2-furanyl]methylideneamino]aniline IUPAC Name: N-[(E)-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitrofuran-2-yl]methylideneamino]aniline Traditional Name: [(E)-[4,5-bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methyleneamino]-phenyl-amine Formula: C25H17N3O7 MolecularWeight: 471.41838

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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=NNC4=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=N/NC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H17N3O7/c29-28(30)24-22(12-26-27-17-4-2-1-3-5-17)35-25(16-7-9-19-21(11-16)34-14-32-19)23(24)15-6-8-18-20(10-15)33-13-31-18/h1-12,27H,13-14H2/b26-12+