[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-iodanyl-2-nitro-phenyl]carbamic acid

Systemtic Name: [5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-iodanyl-2-nitro-phenyl]carbamic acid Openeye Name: [5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-iodo-2-nitro-phenyl]carbamic acid CAS Name: [5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-iodo-2-nitrophenyl]carbamic acid IUPAC Name: [5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-iodo-2-nitrophenyl]carbamic acid Traditional Name: [5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-iodo-2-nitro-phenyl]carbamic acid Formula: C14H16IN3O6 MolecularWeight: 449.19781

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C3=CC(=C(C=C3I)[N+](=O)[O-])NC(=O)O

Isomeric SMILES

C1CN(CCC12OCCO2)C3=CC(=C(C=C3I)[N+](=O)[O-])NC(=O)O

InChI

InChI=1S/C14H16IN3O6/c15-9-7-12(18(21)22)10(16-13(19)20)8-11(9)17-3-1-14(2-4-17)23-5-6-24-14/h7-8,16H,1-6H2,(H,19,20)