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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1C(C(OC2=CC(=C(C=C12)N)[N+](=O)[O-])(C)C)O

Isomeric SMILES

CCOC(=O)CCCNC1C(C(OC2=CC(=C(C=C12)N)[N+](=O)[O-])(C)C)O

InChI

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