2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-6-nitro-benzoic acid Formula: C16H11BrN2O7 MolecularWeight: 423.17174

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H11BrN2O7/c17-9-6-12-13(26-5-4-25-12)7-10(9)18-15(20)8-2-1-3-11(19(23)24)14(8)16(21)22/h1-3,6-7H,4-5H2,(H,18,20)(H,21,22)