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

Systemtic Name: 7-[(6-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]heptan-3-one Openeye Name: 7-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]heptan-3-one CAS Name: 7-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-3-heptanone IUPAC Name: 7-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-4-yl)amino]heptan-3-one Traditional Name: 7-[(6-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-4-yl)amino]heptan-3-one Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCCCNC1C(C(OC2=CC(=C(C=C12)N)[N+](=O)[O-])(C)C)O

Isomeric SMILES

CCC(=O)CCCCNC1C(C(OC2=CC(=C(C=C12)N)[N+](=O)[O-])(C)C)O

InChI

InChI=1S/C18H27N3O5/c1-4-11(22)7-5-6-8-20-16-12-9-13(19)14(21(24)25)10-15(12)26-18(2,3)17(16)23/h9-10,16-17,20,23H,4-8,19H2,1-3H3