1-[2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-cyclohexa-1,5-dien-1-yl]pyrrolidin-3-ol

Systemtic Name: 1-[2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-cyclohexa-1,5-dien-1-yl]pyrrolidin-3-ol Openeye Name: 1-[2-(4-iodo-2-methyl-anilino)-5-nitro-cyclohexa-1,5-dien-1-yl]pyrrolidin-3-ol CAS Name: 1-[2-(4-iodo-2-methylanilino)-5-nitro-1-cyclohexa-1,5-dienyl]-3-pyrrolidinol IUPAC Name: 1-[2-(4-iodo-2-methylanilino)-5-nitrocyclohexa-1,5-dien-1-yl]pyrrolidin-3-ol Traditional Name: 1-[2-(4-iodo-2-methyl-anilino)-5-nitro-cyclohexa-1,5-dien-1-yl]pyrrolidin-3-ol Formula: C17H20IN3O3 MolecularWeight: 441.26347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C=C(CC2)[N+](=O)[O-])N3CCC(C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=C(CC2)[N+](=O)[O-])N3CCC(C3)O

InChI

InChI=1S/C17H20IN3O3/c1-11-8-12(18)2-4-15(11)19-16-5-3-13(21(23)24)9-17(16)20-7-6-14(22)10-20/h2,4,8-9,14,19,22H,3,5-7,10H2,1H3