N-(4-bromanyl-3-methyl-phenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C16H13BrN2O5 MolecularWeight: 393.18882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)Br

InChI

InChI=1S/C16H13BrN2O5/c1-9-6-10(2-3-12(9)17)18-16(20)11-7-14-15(24-5-4-23-14)8-13(11)19(21)22/h2-3,6-8H,4-5H2,1H3,(H,18,20)