[2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-phenyl]-(3-oxidanylpyrrolidin-1-yl)methanone

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-phenyl]-(3-oxidanylpyrrolidin-1-yl)methanone Openeye Name: (3-hydroxypyrrolidin-1-yl)-[2-(4-iodo-2-methyl-anilino)-5-nitro-phenyl]methanone CAS Name: (3-hydroxy-1-pyrrolidinyl)-[2-(4-iodo-2-methylanilino)-5-nitrophenyl]methanone IUPAC Name: (3-hydroxypyrrolidin-1-yl)-[2-(4-iodo-2-methylanilino)-5-nitrophenyl]methanone Traditional Name: (3-hydroxypyrrolidino)-[2-(4-iodo-2-methyl-anilino)-5-nitro-phenyl]methanone Formula: C18H18IN3O4 MolecularWeight: 467.25769

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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)N3CCC(C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCC(C3)O

InChI

InChI=1S/C18H18IN3O4/c1-11-8-12(19)2-4-16(11)20-17-5-3-13(22(25)26)9-15(17)18(24)21-7-6-14(23)10-21/h2-5,8-9,14,20,23H,6-7,10H2,1H3