sodium methyl 2-azanyl-2-[[(3E)-3-(oxidanylmethylidene)cyclohexa-1,5-dien-1-yl]methoxycarbonylamino]ethanoate

Systemtic Name: sodium methyl 2-azanyl-2-[[(3E)-3-(oxidanylmethylidene)cyclohexa-1,5-dien-1-yl]methoxycarbonylamino]ethanoate Openeye Name: sodium methyl 2-amino-2-[[(3E)-3-(hydroxymethylene)cyclohexa-1,5-dien-1-yl]methoxycarbonylamino]acetate CAS Name: sodium 2-amino-2-[[[(3E)-3-(hydroxymethylidene)-1-cyclohexa-1,5-dienyl]methoxy-oxomethyl]amino]acetic acid methyl ester IUPAC Name: sodium methyl 2-amino-2-[[(3E)-3-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]methoxycarbonylamino]acetate Traditional Name: sodium 2-amino-2-[[(3E)-3-(hydroxymethylene)cyclohexa-1,5-dien-1-yl]methoxycarbonylamino]acetic acid methyl ester Formula: C12H16N2NaO5+ MolecularWeight: 291.25561

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(N)NC(=O)OCC1=CC(=CO)CC=C1.[Na+]

Isomeric SMILES

COC(=O)C(N)NC(=O)OCC1=C/C(=C/O)/CC=C1.[Na+]

InChI

InChI=1S/C12H16N2O5.Na/c1-18-11(16)10(13)14-12(17)19-7-9-4-2-3-8(5-9)6-15;/h2,4-6,10,15H,3,7,13H2,1H3,(H,14,17);/q;+1/b8-6+;