2-methoxy-4-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxidanylidene-but-1-enyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxidanylidene-but-1-enyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxo-but-1-enyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-2-[2-methoxyethoxy(oxo)methyl]-3-oxobut-1-enyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxobut-1-enyl]-6-nitrophenolate Traditional Name: 4-[(E)-3-keto-2-(2-methoxyethoxycarbonyl)but-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C15H16NO8- MolecularWeight: 338.28944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=C(C(=C1)OC)[O-])[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=C(C(=C1)OC)[O-])[N+](=O)[O-])/C(=O)OCCOC

InChI

InChI=1S/C15H17NO8/c1-9(17)11(15(19)24-5-4-22-2)6-10-7-12(16(20)21)14(18)13(8-10)23-3/h6-8,18H,4-5H2,1-3H3/p-1/b11-6+