4-[2-[(2S)-azetidin-2-yl]ethoxy]-7-chloranyl-3-(3,5-dimethylphenyl)-6-nitro-1H-quinolin-2-one

Systemtic Name: 4-[2-[(2S)-azetidin-2-yl]ethoxy]-7-chloranyl-3-(3,5-dimethylphenyl)-6-nitro-1H-quinolin-2-one Openeye Name: 4-[2-[(2S)-azetidin-2-yl]ethoxy]-7-chloro-3-(3,5-dimethylphenyl)-6-nitro-1H-quinolin-2-one CAS Name: 4-[2-[(2S)-2-azetidinyl]ethoxy]-7-chloro-3-(3,5-dimethylphenyl)-6-nitro-1H-quinolin-2-one IUPAC Name: 4-[2-[(2S)-azetidin-2-yl]ethoxy]-7-chloro-3-(3,5-dimethylphenyl)-6-nitro-1H-quinolin-2-one Traditional Name: 4-[2-[(2S)-azetidin-2-yl]ethoxy]-7-chloro-3-(3,5-dimethylphenyl)-6-nitro-carbostyril Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)[N+](=O)[O-])OCCC4CCN4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)[N+](=O)[O-])OCC[C@@H]4CCN4)C

InChI

InChI=1S/C22H22ClN3O4/c1-12-7-13(2)9-14(8-12)20-21(30-6-4-15-3-5-24-15)16-10-19(26(28)29)17(23)11-18(16)25-22(20)27/h7-11,15,24H,3-6H2,1-2H3,(H,25,27)/t15-/m0/s1