[3-nitro-5-(7-nitro-2-oxidanylidene-1,4-benzoxazin-3-yl)-2-propanoyloxy-phenyl] propanoate

Systemtic Name: [3-nitro-5-(7-nitro-2-oxidanylidene-1,4-benzoxazin-3-yl)-2-propanoyloxy-phenyl] propanoate Openeye Name: [3-nitro-5-(7-nitro-2-oxo-1,4-benzoxazin-3-yl)-2-propanoyloxy-phenyl] propanoate CAS Name: propanoic acid [3-nitro-5-(7-nitro-2-oxo-1,4-benzoxazin-3-yl)-2-(1-oxopropoxy)phenyl] ester IUPAC Name: [3-nitro-5-(7-nitro-2-oxo-1,4-benzoxazin-3-yl)-2-propanoyloxyphenyl] propanoate Traditional Name: propionic acid [5-(2-keto-7-nitro-1,4-benzoxazin-3-yl)-3-nitro-2-propionyloxy-phenyl] ester Formula: C20H15N3O10 MolecularWeight: 457.3472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=CC(=C1OC(=O)CC)[N+](=O)[O-])C2=NC3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCC(=O)OC1=CC(=CC(=C1OC(=O)CC)[N+](=O)[O-])C2=NC3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C20H15N3O10/c1-3-16(24)31-15-8-10(7-13(23(29)30)19(15)33-17(25)4-2)18-20(26)32-14-9-11(22(27)28)5-6-12(14)21-18/h5-9H,3-4H2,1-2H3