N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-5-nitro-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-5-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-5-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-5-nitrobenzamide Traditional Name: 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-5-nitro-N-veratryl-benzamide Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1(OCC(CO1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H27N3O7/c1-22(2)31-12-15(13-32-22)24-18-7-6-16(25(27)28)10-17(18)21(26)23-11-14-5-8-19(29-3)20(9-14)30-4/h5-10,15,24H,11-13H2,1-4H3,(H,23,26)