2-[2-[(2S)-7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(2S)-7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(2S)-7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(2S)-7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2S)-7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(2S)-3-keto-7-nitro-4H-1,4-benzoxazin-2-yl]ethyl]isoindoline-1,3-quinone Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3C(=O)NC4=C(O3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC[C@H]3C(=O)NC4=C(O3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6/c22-16-14(27-15-9-10(21(25)26)5-6-13(15)19-16)7-8-20-17(23)11-3-1-2-4-12(11)18(20)24/h1-6,9,14H,7-8H2,(H,19,22)/t14-/m0/s1