methyl 5-[(6-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]pentanoate

Systemtic Name: methyl 5-[(6-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]pentanoate Openeye Name: methyl 5-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]pentanoate CAS Name: 5-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]pentanoic acid methyl ester IUPAC Name: methyl 5-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-4-yl)amino]pentanoate Traditional Name: 5-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]valeric acid methyl ester Formula: C17H25N3O6 MolecularWeight: 367.3969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6/c1-17(2)16(22)15(19-7-5-4-6-14(21)25-3)10-8-11(18)12(20(23)24)9-13(10)26-17/h8-9,15-16,19,22H,4-7,18H2,1-3H3