3-[(4-methoxy-2-nitro-5-pentoxy-phenyl)-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-methoxy]-3-oxidanylidene-propanoate

Systemtic Name: 3-[(4-methoxy-2-nitro-5-pentoxy-phenyl)-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-methoxy]-3-oxidanylidene-propanoate Openeye Name: 3-[(3-hydroxy-3-oxo-propanoyl)oxy-(4-methoxy-2-nitro-5-pentoxy-phenyl)methoxy]-3-oxo-propanoate CAS Name: 3-[(3-hydroxy-1,3-dioxopropoxy)-(4-methoxy-2-nitro-5-pentoxyphenyl)methoxy]-3-oxopropanoate IUPAC Name: 3-[(3-hydroxy-3-oxopropanoyl)oxy-(4-methoxy-2-nitro-5-pentoxyphenyl)methoxy]-3-oxopropanoate Traditional Name: 3-[(5-amoxy-4-methoxy-2-nitro-phenyl)-(3-hydroxy-3-keto-propanoyl)oxy-methoxy]-3-keto-propionate Formula: C19H22NO12- MolecularWeight: 456.37748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)C(OC(=O)CC(=O)O)OC(=O)CC(=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)C(OC(=O)CC(=O)O)OC(=O)CC(=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C19H23NO12/c1-3-4-5-6-30-14-7-11(12(20(27)28)8-13(14)29-2)19(31-17(25)9-15(21)22)32-18(26)10-16(23)24/h7-8,19H,3-6,9-10H2,1-2H3,(H,21,22)(H,23,24)/p-1