2-morpholin-4-ylsulfonyl-4-nitro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]aniline

Systemtic Name: 2-morpholin-4-ylsulfonyl-4-nitro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]aniline Openeye Name: 2-morpholinosulfonyl-4-nitro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]aniline CAS Name: 2-(4-morpholinylsulfonyl)-4-nitro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]aniline IUPAC Name: 2-morpholin-4-ylsulfonyl-4-nitro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]aniline Traditional Name: (2-morpholinosulfonyl-4-nitro-phenyl)-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C18H17N5O9S MolecularWeight: 479.42068

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H17N5O9S/c24-22(25)13-1-2-14(18(8-13)33(28,29)21-3-5-30-6-4-21)20-19-10-12-7-16-17(32-11-31-16)9-15(12)23(26)27/h1-2,7-10,20H,3-6,11H2/b19-10+