8-[(6-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]octan-2-one

Systemtic Name: 8-[(6-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]octan-2-one Openeye Name: 8-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]octan-2-one CAS Name: 8-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-2-octanone IUPAC Name: 8-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-4-yl)amino]octan-2-one Traditional Name: 8-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]octan-2-one Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCNC1C(C(OC2=CC(=C(C=C12)N)[N+](=O)[O-])(C)C)O

Isomeric SMILES

CC(=O)CCCCCCNC1C(C(OC2=CC(=C(C=C12)N)[N+](=O)[O-])(C)C)O

InChI

InChI=1S/C19H29N3O5/c1-12(23)8-6-4-5-7-9-21-17-13-10-14(20)15(22(25)26)11-16(13)27-19(2,3)18(17)24/h10-11,17-18,21,24H,4-9,20H2,1-3H3