tert-butyl 3-(2-acetamidoethyl)-5-methoxy-4-nitro-indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2-acetamidoethyl)-5-methoxy-4-nitro-indole-1-carboxylate Openeye Name: tert-butyl 3-(2-acetamidoethyl)-5-methoxy-4-nitro-indole-1-carboxylate CAS Name: 3-(2-acetamidoethyl)-5-methoxy-4-nitro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-acetamidoethyl)-5-methoxy-4-nitroindole-1-carboxylate Traditional Name: 3-(2-acetamidoethyl)-5-methoxy-4-nitro-indole-1-carboxylic acid tert-butyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CN(C2=C1C(=C(C=C2)OC)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NCCC1=CN(C2=C1C(=C(C=C2)OC)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23N3O6/c1-11(22)19-9-8-12-10-20(17(23)27-18(2,3)4)13-6-7-14(26-5)16(15(12)13)21(24)25/h6-7,10H,8-9H2,1-5H3,(H,19,22)