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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2Br)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2Br)OCCO3)[N+](=O)[O-]

InChI

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