tert-butyl 5-methoxy-2,3-bis(4-nitrophenyl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-methoxy-2,3-bis(4-nitrophenyl)indole-1-carboxylate Openeye Name: tert-butyl 5-methoxy-2,3-bis(4-nitrophenyl)indole-1-carboxylate CAS Name: 5-methoxy-2,3-bis(4-nitrophenyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methoxy-2,3-bis(4-nitrophenyl)indole-1-carboxylate Traditional Name: 5-methoxy-2,3-bis(4-nitrophenyl)indole-1-carboxylic acid tert-butyl ester Formula: C26H23N3O7 MolecularWeight: 489.47672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC)C(=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC)C(=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O7/c1-26(2,3)36-25(30)27-22-14-13-20(35-4)15-21(22)23(16-5-9-18(10-6-16)28(31)32)24(27)17-7-11-19(12-8-17)29(33)34/h5-15H,1-4H3