methyl 6-[(6-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]hexanoate

Systemtic Name: methyl 6-[(6-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]hexanoate Openeye Name: methyl 6-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]hexanoate CAS Name: 6-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-4-yl)amino]hexanoate Traditional Name: 6-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]hexanoic acid methyl ester Formula: C18H27N3O6 MolecularWeight: 381.42348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O6/c1-18(2)17(23)16(20-8-6-4-5-7-15(22)26-3)11-9-12(19)13(21(24)25)10-14(11)27-18/h9-10,16-17,20,23H,4-8,19H2,1-3H3