N-[4-(4-azanylbutylamino)-2,2-dimethyl-7-nitro-3,4-dihydrochromen-6-yl]ethanamide

Systemtic Name: N-[4-(4-azanylbutylamino)-2,2-dimethyl-7-nitro-3,4-dihydrochromen-6-yl]ethanamide Openeye Name: N-[4-(4-aminobutylamino)-2,2-dimethyl-7-nitro-chroman-6-yl]acetamide CAS Name: N-[4-(4-aminobutylamino)-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide IUPAC Name: N-[4-(4-aminobutylamino)-2,2-dimethyl-7-nitro-3,4-dihydrochromen-6-yl]acetamide Traditional Name: N-[4-(4-aminobutylamino)-2,2-dimethyl-7-nitro-chroman-6-yl]acetamide Formula: C17H26N4O4 MolecularWeight: 350.41274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)C(CC(O2)(C)C)NCCCCN)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1)C(CC(O2)(C)C)NCCCCN)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O4/c1-11(22)20-13-8-12-14(19-7-5-4-6-18)10-17(2,3)25-16(12)9-15(13)21(23)24/h8-9,14,19H,4-7,10,18H2,1-3H3,(H,20,22)