3-chloranyl-5-methoxy-4-(3-methylbutoxy)-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]benzamide

Systemtic Name: 3-chloranyl-5-methoxy-4-(3-methylbutoxy)-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]benzamide Openeye Name: 3-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-isopentyloxy-5-methoxy-benzamide CAS Name: 3-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide IUPAC Name: 3-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide Traditional Name: 3-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-isoamoxy-5-methoxy-benzamide Formula: C21H25ClN2O6 MolecularWeight: 436.886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)OC

InChI

InChI=1S/C21H25ClN2O6/c1-13(2)8-9-30-20-17(22)10-15(11-19(20)29-3)21(26)23-12-18(25)14-4-6-16(7-5-14)24(27)28/h4-7,10-11,13,18,25H,8-9,12H2,1-3H3,(H,23,26)