ethyl 4-[3-(3,5-dinitrophenyl)carbonylindol-1-yl]butanoate

Systemtic Name: ethyl 4-[3-(3,5-dinitrophenyl)carbonylindol-1-yl]butanoate Openeye Name: ethyl 4-[3-(3,5-dinitrobenzoyl)indol-1-yl]butanoate CAS Name: 4-[3-[(3,5-dinitrophenyl)-oxomethyl]-1-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,5-dinitrobenzoyl)indol-1-yl]butanoate Traditional Name: 4-[3-(3,5-dinitrobenzoyl)indol-1-yl]butyric acid ethyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7/c1-2-31-20(25)8-5-9-22-13-18(17-6-3-4-7-19(17)22)21(26)14-10-15(23(27)28)12-16(11-14)24(29)30/h3-4,6-7,10-13H,2,5,8-9H2,1H3