3,4-bis(2-azanyl-1-oxidanyl-butan-2-yl)-2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-benzamide

Systemtic Name: 3,4-bis(2-azanyl-1-oxidanyl-butan-2-yl)-2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-benzamide Openeye Name: 3,4-bis[1-amino-1-(hydroxymethyl)propyl]-2-(4-iodo-2-methyl-anilino)-5-nitro-benzamide CAS Name: 3,4-bis(2-amino-1-hydroxybutan-2-yl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide IUPAC Name: 3,4-bis(2-amino-1-hydroxybutan-2-yl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide Traditional Name: 3,4-bis(1-amino-1-methylol-propyl)-2-(4-iodo-2-methyl-anilino)-5-nitro-benzamide Formula: C22H30IN5O5 MolecularWeight: 571.40857

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(C1=C(C=C(C(=C1C(CC)(CO)N)NC2=C(C=C(C=C2)I)C)C(=O)N)[N+](=O)[O-])N

Isomeric SMILES

CCC(CO)(C1=C(C=C(C(=C1C(CC)(CO)N)NC2=C(C=C(C=C2)I)C)C(=O)N)[N+](=O)[O-])N

InChI

InChI=1S/C22H30IN5O5/c1-4-21(25,10-29)17-16(28(32)33)9-14(20(24)31)19(18(17)22(26,5-2)11-30)27-15-7-6-13(23)8-12(15)3/h6-9,27,29-30H,4-5,10-11,25-26H2,1-3H3,(H2,24,31)