2-[(4-butoxycarbonylphenyl)amino]-5-nitro-benzoate

Systemtic Name: 2-[(4-butoxycarbonylphenyl)amino]-5-nitro-benzoate Openeye Name: 2-(4-butoxycarbonylanilino)-5-nitro-benzoate CAS Name: 2-[4-[butoxy(oxo)methyl]anilino]-5-nitrobenzoate IUPAC Name: 2-(4-butoxycarbonylanilino)-5-nitrobenzoate Traditional Name: 2-(4-butoxycarbonylanilino)-5-nitro-benzoate Formula: C18H17N2O6- MolecularWeight: 357.33738

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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)/p-1