3-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-(azepan-1-yl)-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-(1-azepanyl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(azepan-1-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-(azepan-1-yl)-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C17H21N3O5 MolecularWeight: 347.36574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C17H21N3O5/c21-16(18-9-3-1-2-4-10-18)6-5-11-19-14-8-7-13(20(23)24)12-15(14)25-17(19)22/h7-8,12H,1-6,9-11H2