2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-nitrophenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-nitrophenyl)sulfonylamino]benzoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[(2-nitrophenyl)sulfonylamino]benzoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(2-nitrophenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-nitrophenyl)sulfonylamino]benzoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(2-nitrophenyl)sulfonylamino]benzoic acid Formula: C18H19N3O8S MolecularWeight: 437.42376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC=C1NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC=C1NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H19N3O8S/c1-18(2,3)29-17(24)19-15-11(16(22)23)7-6-8-12(15)20-30(27,28)14-10-5-4-9-13(14)21(25)26/h4-10,20H,1-3H3,(H,19,24)(H,22,23)