2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-iodanyl-4-methyl-phenyl)amino]-5-nitro-benzamide

Systemtic Name: 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-iodanyl-4-methyl-phenyl)amino]-5-nitro-benzamide Openeye Name: 2-[N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-iodo-4-methyl-anilino]-5-nitro-benzamide CAS Name: 2-[N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-iodo-4-methylanilino]-5-nitrobenzamide IUPAC Name: 2-[N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-iodo-4-methylanilino]-5-nitrobenzamide Traditional Name: 2-[N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-iodo-4-methyl-anilino]-5-nitro-benzamide Formula: C20H25IN4O5 MolecularWeight: 528.34077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CCN(CCO)CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N)I

Isomeric SMILES

CC1=CC(=C(C=C1)N(CCN(CCO)CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N)I

InChI

InChI=1S/C20H25IN4O5/c1-14-2-4-19(17(21)12-14)24(7-6-23(8-10-26)9-11-27)18-5-3-15(25(29)30)13-16(18)20(22)28/h2-5,12-13,26-27H,6-11H2,1H3,(H2,22,28)