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

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)-6-nitro-benzoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylamino)-6-nitro-benzoic acid CAS Name: 2-(1,3-benzodioxol-5-ylamino)-6-nitrobenzoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)-6-nitrobenzoic acid Traditional Name: 2-(1,3-benzodioxol-5-ylamino)-6-nitro-benzoic acid Formula: C14H10N2O6 MolecularWeight: 302.239

Click to see the large picture

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)