tert-butyl 2-(4-nitrophenyl)-3-(phenylmethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 2-(4-nitrophenyl)-3-(phenylmethyl)indole-1-carboxylate Openeye Name: tert-butyl 3-benzyl-2-(4-nitrophenyl)indole-1-carboxylate CAS Name: 2-(4-nitrophenyl)-3-(phenylmethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-2-(4-nitrophenyl)indole-1-carboxylate Traditional Name: 3-benzyl-2-(4-nitrophenyl)indole-1-carboxylic acid tert-butyl ester Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4/c1-26(2,3)32-25(29)27-23-12-8-7-11-21(23)22(17-18-9-5-4-6-10-18)24(27)19-13-15-20(16-14-19)28(30)31/h4-16H,17H2,1-3H3