methyl 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H13BrN2O7 MolecularWeight: 437.19832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2Br)OCCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2Br)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN2O7/c1-25-17(22)10-4-9(5-11(6-10)20(23)24)16(21)19-13-8-15-14(7-12(13)18)26-2-3-27-15/h4-8H,2-3H2,1H3,(H,19,21)