2-[(4-butoxyphenyl)amino]-6-chloranyl-3-nitro-benzoic acid

Systemtic Name: 2-[(4-butoxyphenyl)amino]-6-chloranyl-3-nitro-benzoic acid Openeye Name: 2-(4-butoxyanilino)-6-chloro-3-nitro-benzoic acid CAS Name: 2-(4-butoxyanilino)-6-chloro-3-nitrobenzoic acid IUPAC Name: 2-(4-butoxyanilino)-6-chloro-3-nitrobenzoic acid Traditional Name: 2-(4-butoxyanilino)-6-chloro-3-nitro-benzoic acid Formula: C17H17ClN2O5 MolecularWeight: 364.78028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN2O5/c1-2-3-10-25-12-6-4-11(5-7-12)19-16-14(20(23)24)9-8-13(18)15(16)17(21)22/h4-9,19H,2-3,10H2,1H3,(H,21,22)