2,3-bis(chloranyl)-N-[3-(2-nitro-1-oxidanyl-ethyl)quinolin-2-yl]benzamide

Systemtic Name: 2,3-bis(chloranyl)-N-[3-(2-nitro-1-oxidanyl-ethyl)quinolin-2-yl]benzamide Openeye Name: 2,3-dichloro-N-[3-(1-hydroxy-2-nitro-ethyl)-2-quinolyl]benzamide CAS Name: 2,3-dichloro-N-[3-(1-hydroxy-2-nitroethyl)-2-quinolinyl]benzamide IUPAC Name: 2,3-dichloro-N-[3-(1-hydroxy-2-nitroethyl)quinolin-2-yl]benzamide Traditional Name: 2,3-dichloro-N-[3-(1-hydroxy-2-nitro-ethyl)-2-quinolyl]benzamide Formula: C18H13Cl2N3O4 MolecularWeight: 406.21952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)NC(=O)C3=C(C(=CC=C3)Cl)Cl)C(C[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)NC(=O)C3=C(C(=CC=C3)Cl)Cl)C(C[N+](=O)[O-])O

InChI

InChI=1S/C18H13Cl2N3O4/c19-13-6-3-5-11(16(13)20)18(25)22-17-12(15(24)9-23(26)27)8-10-4-1-2-7-14(10)21-17/h1-8,15,24H,9H2,(H,21,22,25)