ethyl 4-[3-[(3-nitrophenyl)methyl]indol-1-yl]butanoate

Systemtic Name: ethyl 4-[3-[(3-nitrophenyl)methyl]indol-1-yl]butanoate Openeye Name: ethyl 4-[3-[(3-nitrophenyl)methyl]indol-1-yl]butanoate CAS Name: 4-[3-[(3-nitrophenyl)methyl]-1-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-nitrophenyl)methyl]indol-1-yl]butanoate Traditional Name: 4-[3-(3-nitrobenzyl)indol-1-yl]butyric acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C2=CC=CC=C21)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1C=C(C2=CC=CC=C21)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O4/c1-2-27-21(24)11-6-12-22-15-17(19-9-3-4-10-20(19)22)13-16-7-5-8-18(14-16)23(25)26/h3-5,7-10,14-15H,2,6,11-13H2,1H3