[4-iodanyl-2-nitro-5-[3-(oxan-2-yloxy)pyrrolidin-1-yl]phenyl]carbamic acid

Systemtic Name: [4-iodanyl-2-nitro-5-[3-(oxan-2-yloxy)pyrrolidin-1-yl]phenyl]carbamic acid Openeye Name: [4-iodo-2-nitro-5-(3-tetrahydropyran-2-yloxypyrrolidin-1-yl)phenyl]carbamic acid CAS Name: [4-iodo-2-nitro-5-[3-(2-oxanyloxy)-1-pyrrolidinyl]phenyl]carbamic acid IUPAC Name: [4-iodo-2-nitro-5-[3-(oxan-2-yloxy)pyrrolidin-1-yl]phenyl]carbamic acid Traditional Name: [4-iodo-2-nitro-5-(3-tetrahydropyran-2-yloxypyrrolidino)phenyl]carbamic acid Formula: C16H20IN3O6 MolecularWeight: 477.25097

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2CCN(C2)C3=CC(=C(C=C3I)[N+](=O)[O-])NC(=O)O

Isomeric SMILES

C1CCOC(C1)OC2CCN(C2)C3=CC(=C(C=C3I)[N+](=O)[O-])NC(=O)O

InChI

InChI=1S/C16H20IN3O6/c17-11-7-14(20(23)24)12(18-16(21)22)8-13(11)19-5-4-10(9-19)26-15-3-1-2-6-25-15/h7-8,10,15,18H,1-6,9H2,(H,21,22)