ethyl 3-(1H-indol-6-yl)-2-(4-methoxyphenyl)carbonyl-4-nitro-butanoate

Systemtic Name: ethyl 3-(1H-indol-6-yl)-2-(4-methoxyphenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(1H-indol-6-yl)-2-(4-methoxybenzoyl)-4-nitro-butanoate CAS Name: 3-(1H-indol-6-yl)-2-[(4-methoxyphenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1H-indol-6-yl)-2-(4-methoxybenzoyl)-4-nitrobutanoate Traditional Name: 3-(1H-indol-6-yl)-4-nitro-2-p-anisoyl-butyric acid ethyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)C=CN2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)C=CN2)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22N2O6/c1-3-30-22(26)20(21(25)15-6-8-17(29-2)9-7-15)18(13-24(27)28)16-5-4-14-10-11-23-19(14)12-16/h4-12,18,20,23H,3,13H2,1-2H3