2-[5-chloranyl-3-(3-nitrophenyl)carbonyl-indol-1-yl]butanoic acid

Systemtic Name: 2-[5-chloranyl-3-(3-nitrophenyl)carbonyl-indol-1-yl]butanoic acid Openeye Name: 2-[5-chloro-3-(3-nitrobenzoyl)indol-1-yl]butanoic acid CAS Name: 2-[5-chloro-3-[(3-nitrophenyl)-oxomethyl]-1-indolyl]butanoic acid IUPAC Name: 2-[5-chloro-3-(3-nitrobenzoyl)indol-1-yl]butanoic acid Traditional Name: 2-[5-chloro-3-(3-nitrobenzoyl)indol-1-yl]butyric acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C=C(C2=C1C=CC(=C2)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)N1C=C(C2=C1C=CC(=C2)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN2O5/c1-2-16(19(24)25)21-10-15(14-9-12(20)6-7-17(14)21)18(23)11-4-3-5-13(8-11)22(26)27/h3-10,16H,2H2,1H3,(H,24,25)