N-[(4-chloranyl-4-ethoxy-cyclohexa-2,5-dien-1-yl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide

Systemtic Name: N-[(4-chloranyl-4-ethoxy-cyclohexa-2,5-dien-1-yl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: N-[(4-chloro-4-ethoxy-cyclohexa-2,5-dien-1-yl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide CAS Name: N-[(4-chloro-4-ethoxy-1-cyclohexa-2,5-dienyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide IUPAC Name: N-[(4-chloro-4-ethoxycyclohexa-2,5-dien-1-yl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide Traditional Name: N-[(4-chloro-4-ethoxy-cyclohexa-2,5-dien-1-yl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide Formula: C22H28ClN3O5 MolecularWeight: 449.92782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C=CC(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)Cl

Isomeric SMILES

CCOC1(C=CC(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)Cl

InChI

InChI=1S/C22H28ClN3O5/c1-2-31-22(23)11-9-15(10-12-22)14-24-21(28)19-13-17(26(29)30)5-8-20(19)25-16-3-6-18(27)7-4-16/h5,8-13,15-16,18,25,27H,2-4,6-7,14H2,1H3,(H,24,28)