[5-(6-carboxyoxy-2-oxidanylidene-1,4-benzoxazin-3-yl)-3-nitro-2-propanoyloxy-phenyl] propanoate

Systemtic Name: [5-(6-carboxyoxy-2-oxidanylidene-1,4-benzoxazin-3-yl)-3-nitro-2-propanoyloxy-phenyl] propanoate Openeye Name: [5-(6-carboxyoxy-2-oxo-1,4-benzoxazin-3-yl)-3-nitro-2-propanoyloxy-phenyl] propanoate CAS Name: propanoic acid [5-(6-carboxyoxy-2-oxo-1,4-benzoxazin-3-yl)-3-nitro-2-(1-oxopropoxy)phenyl] ester IUPAC Name: [5-(6-carboxyoxy-2-oxo-1,4-benzoxazin-3-yl)-3-nitro-2-propanoyloxyphenyl] propanoate Traditional Name: propionic acid [5-(6-carboxyoxy-2-keto-1,4-benzoxazin-3-yl)-3-nitro-2-propionyloxy-phenyl] ester Formula: C21H16N2O11 MolecularWeight: 472.35854

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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=CC(=C3)OC(=O)O)OC2=O

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O11/c1-3-16(24)32-15-8-10(7-13(23(29)30)19(15)34-17(25)4-2)18-20(26)33-14-6-5-11(31-21(27)28)9-12(14)22-18/h5-9H,3-4H2,1-2H3,(H,27,28)