2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-3-oxidanyl-4-pyrrolidin-1-yl-benzaldehyde

Systemtic Name: 2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-3-oxidanyl-4-pyrrolidin-1-yl-benzaldehyde Openeye Name: 3-hydroxy-2-(4-iodo-2-methyl-anilino)-5-nitro-4-pyrrolidin-1-yl-benzaldehyde CAS Name: 3-hydroxy-2-(4-iodo-2-methylanilino)-5-nitro-4-(1-pyrrolidinyl)benzaldehyde IUPAC Name: 3-hydroxy-2-(4-iodo-2-methylanilino)-5-nitro-4-pyrrolidin-1-ylbenzaldehyde Traditional Name: 3-hydroxy-2-(4-iodo-2-methyl-anilino)-5-nitro-4-pyrrolidino-benzaldehyde 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=C2C=O)[N+](=O)[O-])N3CCCC3)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2C=O)[N+](=O)[O-])N3CCCC3)O

InChI

InChI=1S/C18H18IN3O4/c1-11-8-13(19)4-5-14(11)20-16-12(10-23)9-15(22(25)26)17(18(16)24)21-6-2-3-7-21/h4-5,8-10,20,24H,2-3,6-7H2,1H3