2-(1,3-benzodioxol-5-ylcarbonylamino)-5-nitro-benzoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-nitro-benzoic acid Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-5-nitro-benzoic acid CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-nitrobenzoic acid IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-5-nitrobenzoic acid Traditional Name: 5-nitro-2-(piperonyloylamino)benzoic acid Formula: C15H10N2O7 MolecularWeight: 330.2491

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H10N2O7/c18-14(8-1-4-12-13(5-8)24-7-23-12)16-11-3-2-9(17(21)22)6-10(11)15(19)20/h1-6H,7H2,(H,16,18)(H,19,20)