N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(1-oxidanylbutan-2-ylamino)benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(1-oxidanylbutan-2-ylamino)benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(hydroxymethyl)propylamino]-5-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-hydroxybutan-2-ylamino)-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-hydroxybutan-2-ylamino)-5-nitrobenzamide Traditional Name: 2-(1-methylolpropylamino)-5-nitro-N-veratryl-benzamide Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H25N3O6/c1-4-14(12-24)22-17-7-6-15(23(26)27)10-16(17)20(25)21-11-13-5-8-18(28-2)19(9-13)29-3/h5-10,14,22,24H,4,11-12H2,1-3H3,(H,21,25)