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

Systemtic Name: 3-nitro-4-[(3,4,5-trimethoxyphenyl)amino]benzoic acid Openeye Name: 3-nitro-4-(3,4,5-trimethoxyanilino)benzoic acid CAS Name: 3-nitro-4-(3,4,5-trimethoxyanilino)benzoic acid IUPAC Name: 3-nitro-4-(3,4,5-trimethoxyanilino)benzoic acid Traditional Name: 3-nitro-4-(3,4,5-trimethoxyanilino)benzoic acid Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O7/c1-23-13-7-10(8-14(24-2)15(13)25-3)17-11-5-4-9(16(19)20)6-12(11)18(21)22/h4-8,17H,1-3H3,(H,19,20)