N-[2-(3-chlorophenyl)-2-oxidanyl-ethyl]-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-[2-(3-chlorophenyl)-2-oxidanyl-ethyl]-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-[2-(3-chlorophenyl)-2-hydroxy-ethyl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[2-(3-chlorophenyl)-2-hydroxy-ethyl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCC(C3=CC(=CC=C3)Cl)O)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCC(C3=CC(=CC=C3)Cl)O)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4/c19-13-3-1-2-11(8-13)17(23)10-20-18(24)12-4-7-15(21-14-5-6-14)16(9-12)22(25)26/h1-4,7-9,14,17,21,23H,5-6,10H2,(H,20,24)