[2-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-oxidanylidene-3,1-benzoxazin-6-yl] ethanoate

Systemtic Name: [2-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-oxidanylidene-3,1-benzoxazin-6-yl] ethanoate Openeye Name: [2-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-4-oxo-3,1-benzoxazin-6-yl] acetate CAS Name: acetic acid [2-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-4-oxo-3,1-benzoxazin-6-yl] ester IUPAC Name: [2-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-4-oxo-3,1-benzoxazin-6-yl] acetate Traditional Name: acetic acid [2-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]-4-keto-3,1-benzoxazin-6-yl] ester Formula: C19H11N3O8 MolecularWeight: 409.30594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H11N3O8/c1-9(23)29-11-3-5-15-14(7-11)19(26)30-16(20-15)8-21-17(24)12-4-2-10(22(27)28)6-13(12)18(21)25/h2-7H,8H2,1H3