(2S)-7-nitro-2-[2-(4-phenylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-7-nitro-2-[2-(4-phenylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-7-nitro-2-[2-(4-phenylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one CAS Name: (2S)-7-nitro-2-[2-(4-phenyl-1-piperazinyl)ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-7-nitro-2-[2-(4-phenylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-7-nitro-2-[2-(4-phenylpiperazino)ethyl]-4H-1,4-benzoxazin-3-one Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC[C@H]2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O4/c25-20-18(28-19-14-16(24(26)27)6-7-17(19)21-20)8-9-22-10-12-23(13-11-22)15-4-2-1-3-5-15/h1-7,14,18H,8-13H2,(H,21,25)/t18-/m0/s1