(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C15H11BrN2O6 MolecularWeight: 395.16164

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])Br

InChI

InChI=1S/C15H11BrN2O6/c16-10-5-14-13(23-7-24-14)4-9(10)6-22-15(19)8-1-2-11(17)12(3-8)18(20)21/h1-5H,6-7,17H2