3-[3-[(6-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]propoxy]propanoic acid

Systemtic Name: 3-[3-[(6-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]propoxy]propanoic acid Openeye Name: 3-[3-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]propoxy]propanoic acid CAS Name: 3-[3-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]propoxy]propanoic acid IUPAC Name: 3-[3-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-4-yl)amino]propoxy]propanoic acid Traditional Name: 3-[3-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]propoxy]propionic acid Formula: C17H25N3O7 MolecularWeight: 383.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N)NCCCOCCC(=O)O)O)C

Isomeric SMILES

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N)NCCCOCCC(=O)O)O)C

InChI

InChI=1S/C17H25N3O7/c1-17(2)16(23)15(19-5-3-6-26-7-4-14(21)22)10-8-11(18)12(20(24)25)9-13(10)27-17/h8-9,15-16,19,23H,3-7,18H2,1-2H3,(H,21,22)