6-nitro-4-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-nitro-4-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-6-nitro-1,4-benzoxazin-3-one CAS Name: 6-nitro-4-[2-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethyl]-6-nitro-1,4-benzoxazin-3-one Formula: C22H24N4O5 MolecularWeight: 424.44976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O5/c27-21(24-10-4-9-23(11-12-24)14-17-5-2-1-3-6-17)15-25-19-13-18(26(29)30)7-8-20(19)31-16-22(25)28/h1-3,5-8,13H,4,9-12,14-16H2