3-azaniumylcarbonyl-3,4-dihydro-2H-chromene-2-carboxylate

Systemtic Name: 3-azaniumylcarbonyl-3,4-dihydro-2H-chromene-2-carboxylate Openeye Name: 3-azaniumylcarbonylchromane-2-carboxylate CAS Name: 3-[ammonio(oxo)methyl]-3,4-dihydro-2H-1-benzopyran-2-carboxylate IUPAC Name: 3-azaniumylcarbonyl-3,4-dihydro-2H-chromene-2-carboxylate Traditional Name: 3-ammoniocarbonylchroman-2-carboxylate Formula: C11H11NO4 MolecularWeight: 221.20934

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC=CC=C21)C(=O)[O-])C(=O)[NH3+]

Isomeric SMILES

C1C(C(OC2=CC=CC=C21)C(=O)[O-])C(=O)[NH3+]

InChI

InChI=1S/C11H11NO4/c12-10(13)7-5-6-3-1-2-4-8(6)16-9(7)11(14)15/h1-4,7,9H,5H2,(H2,12,13)(H,14,15)