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6-chloranyl-3-nitro-2-[(3,4,5-trimethoxyphenyl)amino]benzoic acid

6-chloranyl-3-nitro-2-[(3,4,5-trimethoxyphenyl)amino]benzoic acid

Systemtic Name:6-chloranyl-3-nitro-2-[(3,4,5-trimethoxyphenyl)amino]benzoic acid
Openeye Name:6-chloro-3-nitro-2-(3,4,5-trimethoxyanilino)benzoic acid
CAS Name:6-chloro-3-nitro-2-(3,4,5-trimethoxyanilino)benzoic acid
IUPAC Name:6-chloro-3-nitro-2-(3,4,5-trimethoxyanilino)benzoic acid
Traditional Name:6-chloro-3-nitro-2-(3,4,5-trimethoxyanilino)benzoic acid
Formula: C16H15ClN2O7
MolecularWeight: 382.7525
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]


Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]


InChI

InChI=1S/C16H15ClN2O7/c1-24-11-6-8(7-12(25-2)15(11)26-3)18-14-10(19(22)23)5-4-9(17)13(14)16(20)21/h4-7,18H,1-3H3,(H,20,21)


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