(2S)-6-nitro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-6-nitro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-6-nitro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one CAS Name: (2S)-6-nitro-2-[2-[4-(4-nitrophenyl)-1-piperazinyl]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-nitro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-6-nitro-2-[2-[4-(4-nitrophenyl)piperazino]ethyl]-4H-1,4-benzoxazin-3-one Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O6/c26-20-19(31-18-6-5-16(25(29)30)13-17(18)21-20)7-8-22-9-11-23(12-10-22)14-1-3-15(4-2-14)24(27)28/h1-6,13,19H,7-12H2,(H,21,26)/t19-/m0/s1