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

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

Systemtic Name:2-(1,3-benzodioxol-5-ylamino)-6-chloranyl-3-nitro-benzoic acid
Openeye Name:2-(1,3-benzodioxol-5-ylamino)-6-chloro-3-nitro-benzoic acid
CAS Name:2-(1,3-benzodioxol-5-ylamino)-6-chloro-3-nitrobenzoic acid
IUPAC Name:2-(1,3-benzodioxol-5-ylamino)-6-chloro-3-nitrobenzoic acid
Traditional Name:2-(1,3-benzodioxol-5-ylamino)-6-chloro-3-nitro-benzoic acid
Formula: C14H9ClN2O6
MolecularWeight: 336.68406
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C=CC(=C3C(=O)O)Cl)[N+](=O)[O-]


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C=CC(=C3C(=O)O)Cl)[N+](=O)[O-]


InChI

InChI=1S/C14H9ClN2O6/c15-8-2-3-9(17(20)21)13(12(8)14(18)19)16-7-1-4-10-11(5-7)23-6-22-10/h1-5,16H,6H2,(H,18,19)


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