2-(cyclohex-3-en-1-ylamino)-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-5-nitro-benzamide

Systemtic Name: 2-(cyclohex-3-en-1-ylamino)-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-5-nitro-benzamide Openeye Name: 2-(cyclohex-3-en-1-ylamino)-N-[(3-fluoro-4-methoxy-phenyl)methyl]-5-nitro-benzamide CAS Name: 2-(1-cyclohex-3-enylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-nitrobenzamide IUPAC Name: 2-(cyclohex-3-en-1-ylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-nitrobenzamide Traditional Name: 2-(cyclohex-3-en-1-ylamino)-N-(3-fluoro-4-methoxy-benzyl)-5-nitro-benzamide Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC=CC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC=CC3)F

InChI

InChI=1S/C21H22FN3O4/c1-29-20-10-7-14(11-18(20)22)13-23-21(26)17-12-16(25(27)28)8-9-19(17)24-15-5-3-2-4-6-15/h2-3,7-12,15,24H,4-6,13H2,1H3,(H,23,26)