N-[(E)-(4-nitro-3-oxidanyl-phenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(E)-(4-nitro-3-oxidanyl-phenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(E)-(3-hydroxy-4-nitro-phenyl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(E)-(3-hydroxy-4-nitro-benzylidene)amino]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C16H13N3O6 MolecularWeight: 343.29092

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)N/N=C/C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H13N3O6/c20-13-7-10(1-3-12(13)19(22)23)9-17-18-16(21)11-2-4-14-15(8-11)25-6-5-24-14/h1-4,7-9,20H,5-6H2,(H,18,21)/b17-9+