2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-N-(3-oxidanylpropyl)benzamide Openeye Name: N-(3-hydroxypropyl)-2-(4-iodo-2-methyl-anilino)-5-nitro-benzamide CAS Name: N-(3-hydroxypropyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide IUPAC Name: N-(3-hydroxypropyl)-2-(4-iodo-2-methylanilino)-5-nitrobenzamide Traditional Name: N-(3-hydroxypropyl)-2-(4-iodo-2-methyl-anilino)-5-nitro-benzamide Formula: C17H18IN3O4 MolecularWeight: 455.24699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCCO

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCCO

InChI

InChI=1S/C17H18IN3O4/c1-11-9-12(18)3-5-15(11)20-16-6-4-13(21(24)25)10-14(16)17(23)19-7-2-8-22/h3-6,9-10,20,22H,2,7-8H2,1H3,(H,19,23)