[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C19H16N2O7/c1-2-26-19(24)20-14-3-4-15-13(9-17(22)28-16(15)10-14)11-27-18(23)12-5-7-21(25)8-6-12/h3-10H,2,11H2,1H3,(H,20,24)