2-[(4-butoxycarbonylphenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(4-butoxycarbonylphenyl)amino]-5-nitro-benzoic acid Openeye Name: 2-(4-butoxycarbonylanilino)-5-nitro-benzoic acid CAS Name: 2-[4-[butoxy(oxo)methyl]anilino]-5-nitrobenzoic acid IUPAC Name: 2-(4-butoxycarbonylanilino)-5-nitrobenzoic acid Traditional Name: 2-(4-butoxycarbonylanilino)-5-nitro-benzoic acid Formula: C18H18N2O6 MolecularWeight: 358.34532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H18N2O6/c1-2-3-10-26-18(23)12-4-6-13(7-5-12)19-16-9-8-14(20(24)25)11-15(16)17(21)22/h4-9,11,19H,2-3,10H2,1H3,(H,21,22)