N-(4-methoxy-3,5-dinitro-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-(4-methoxy-3,5-dinitro-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-(4-methoxy-3,5-dinitro-phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-(4-methoxy-3,5-dinitrophenyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-(4-methoxy-3,5-dinitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-(4-methoxy-3,5-dinitro-phenyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C16H13N3O8 MolecularWeight: 375.28972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O8/c1-25-15-11(18(21)22)7-10(8-12(15)19(23)24)17-16(20)9-2-3-13-14(6-9)27-5-4-26-13/h2-3,6-8H,4-5H2,1H3,(H,17,20)