N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-formamidocyclohexyl)amino]-5-nitro-benzamide dihydrate

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-formamidocyclohexyl)amino]-5-nitro-benzamide dihydrate Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-formamidocyclohexyl)amino]-5-nitro-benzamide dihydrate CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-formamidocyclohexyl)amino]-5-nitrobenzamide dihydrate IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-formamidocyclohexyl)amino]-5-nitrobenzamide dihydrate Traditional Name: 2-[(4-formamidocyclohexyl)amino]-5-nitro-N-veratryl-benzamide dihydrate Formula: C23H32N4O8 MolecularWeight: 492.52218

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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)NC=O)OC.O.O

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O6.2H2O/c1-32-21-10-3-15(11-22(21)33-2)13-24-23(29)19-12-18(27(30)31)8-9-20(19)26-17-6-4-16(5-7-17)25-14-28;;/h3,8-12,14,16-17,26H,4-7,13H2,1-2H3,(H,24,29)(H,25,28);2*1H2