5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-2-(2-phenylethynyl)benzoic acid

Systemtic Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-2-(2-phenylethynyl)benzoic acid Openeye Name: 5-(tert-butoxycarbonylamino)-4-nitro-2-(2-phenylethynyl)benzoic acid CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitro-2-(2-phenylethynyl)benzoic acid IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-2-(2-phenylethynyl)benzoic acid Traditional Name: 5-(tert-butoxycarbonylamino)-4-nitro-2-(2-phenylethynyl)benzoic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)C(=O)O)C#CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)C(=O)O)C#CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-20(2,3)28-19(25)21-16-12-15(18(23)24)14(11-17(16)22(26)27)10-9-13-7-5-4-6-8-13/h4-8,11-12H,1-3H3,(H,21,25)(H,23,24)