tert-butyl 3-[(3,4-dimethoxy-2-nitro-phenoxy)carbonylamino]-3H-indole-2-carboxylate

Systemtic Name: tert-butyl 3-[(3,4-dimethoxy-2-nitro-phenoxy)carbonylamino]-3H-indole-2-carboxylate Openeye Name: tert-butyl 3-[(3,4-dimethoxy-2-nitro-phenoxy)carbonylamino]-3H-indole-2-carboxylate CAS Name: 3-[[(3,4-dimethoxy-2-nitrophenoxy)-oxomethyl]amino]-3H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3,4-dimethoxy-2-nitrophenoxy)carbonylamino]-3H-indole-2-carboxylate Traditional Name: 3-[(3,4-dimethoxy-2-nitro-phenoxy)carbonylamino]-3H-indole-2-carboxylic acid tert-butyl ester Formula: C22H23N3O8 MolecularWeight: 457.43332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NC2=CC=CC=C2C1NC(=O)OC3=C(C(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=NC2=CC=CC=C2C1NC(=O)OC3=C(C(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O8/c1-22(2,3)33-20(26)17-16(12-8-6-7-9-13(12)23-17)24-21(27)32-14-10-11-15(30-4)19(31-5)18(14)25(28)29/h6-11,16H,1-5H3,(H,24,27)