ethyl 4-[5-chloranyl-3-(3-nitrophenyl)carbonyl-indol-1-yl]butanoate

Systemtic Name: ethyl 4-[5-chloranyl-3-(3-nitrophenyl)carbonyl-indol-1-yl]butanoate Openeye Name: ethyl 4-[5-chloro-3-(3-nitrobenzoyl)indol-1-yl]butanoate CAS Name: 4-[5-chloro-3-[(3-nitrophenyl)-oxomethyl]-1-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-chloro-3-(3-nitrobenzoyl)indol-1-yl]butanoate Traditional Name: 4-[5-chloro-3-(3-nitrobenzoyl)indol-1-yl]butyric acid ethyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C2=C1C=CC(=C2)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1C=C(C2=C1C=CC(=C2)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN2O5/c1-2-29-20(25)7-4-10-23-13-18(17-12-15(22)8-9-19(17)23)21(26)14-5-3-6-16(11-14)24(27)28/h3,5-6,8-9,11-13H,2,4,7,10H2,1H3