6-azanyl-4-(5-azanylpentylamino)-7-nitro-2,2-bis(trifluoromethyl)-3,4-dihydrochromen-3-ol

Systemtic Name: 6-azanyl-4-(5-azanylpentylamino)-7-nitro-2,2-bis(trifluoromethyl)-3,4-dihydrochromen-3-ol Openeye Name: 6-amino-4-(5-aminopentylamino)-7-nitro-2,2-bis(trifluoromethyl)chroman-3-ol CAS Name: 6-amino-4-(5-aminopentylamino)-7-nitro-2,2-bis(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: 6-amino-4-(5-aminopentylamino)-7-nitro-2,2-bis(trifluoromethyl)-3,4-dihydrochromen-3-ol Traditional Name: 6-amino-4-(5-aminopentylamino)-7-nitro-2,2-bis(trifluoromethyl)chroman-3-ol Formula: C16H20F6N4O4 MolecularWeight: 446.344819

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(C(C(OC2=CC(=C1N)[N+](=O)[O-])(C(F)(F)F)C(F)(F)F)O)NCCCCCN

Isomeric SMILES

C1=C2C(C(C(OC2=CC(=C1N)[N+](=O)[O-])(C(F)(F)F)C(F)(F)F)O)NCCCCCN

InChI

InChI=1S/C16H20F6N4O4/c17-15(18,19)14(16(20,21)22)13(27)12(25-5-3-1-2-4-23)8-6-9(24)10(26(28)29)7-11(8)30-14/h6-7,12-13,25,27H,1-5,23-24H2