2-(1,3-benzodioxol-5-ylamino)-6-nitro-benzoate

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)-6-nitro-benzoate Openeye Name: 2-(1,3-benzodioxol-5-ylamino)-6-nitro-benzoate CAS Name: 2-(1,3-benzodioxol-5-ylamino)-6-nitrobenzoate IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)-6-nitrobenzoate Traditional Name: 2-(1,3-benzodioxol-5-ylamino)-6-nitro-benzoate Formula: C14H9N2O6- MolecularWeight: 301.23106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O6/c17-14(18)13-9(2-1-3-10(13)16(19)20)15-8-4-5-11-12(6-8)22-7-21-11/h1-6,15H,7H2,(H,17,18)/p-1