ethyl 3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]-5-nitro-indole-2-carboxylate

Systemtic Name: ethyl 3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]-5-nitro-indole-2-carboxylate Openeye Name: ethyl 3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]-5-nitro-indole-2-carboxylate CAS Name: 3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]-5-nitro-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]-5-nitroindole-2-carboxylate Traditional Name: 3-(4-tert-butylphenyl)-1-m-anisyl-5-nitro-indole-2-carboxylic acid ethyl ester Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC=C3)OC)C=CC(=C2)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC=C3)OC)C=CC(=C2)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H30N2O5/c1-6-36-28(32)27-26(20-10-12-21(13-11-20)29(2,3)4)24-17-22(31(33)34)14-15-25(24)30(27)18-19-8-7-9-23(16-19)35-5/h7-17H,6,18H2,1-5H3