ethyl 2-(3,6,8-trinitro-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoate

Systemtic Name: ethyl 2-(3,6,8-trinitro-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoate Openeye Name: ethyl 2-(7-hydroxy-3,6,8-trinitro-2-oxo-chromen-4-yl)acetate CAS Name: 2-(7-hydroxy-3,6,8-trinitro-2-oxo-1-benzopyran-4-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(7-hydroxy-3,6,8-trinitro-2-oxochromen-4-yl)acetate Traditional Name: 2-(7-hydroxy-2-keto-3,6,8-trinitro-chromen-4-yl)acetic acid ethyl ester Formula: C13H9N3O11 MolecularWeight: 383.22406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=O)OC2=C(C(=C(C=C12)[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=C(C(=O)OC2=C(C(=C(C=C12)[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O11/c1-2-26-8(17)4-5-6-3-7(14(20)21)11(18)10(16(24)25)12(6)27-13(19)9(5)15(22)23/h3,18H,2,4H2,1H3