[[6-(4-hydroxyphenyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]-oxidanylidene-azaniumyl]methanoate

Systemtic Name: [[6-(4-hydroxyphenyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]-oxidanylidene-azaniumyl]methanoate Openeye Name: [[6-(4-hydroxyphenyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]-oxo-ammonio]formate CAS Name: [[6-(4-hydroxyphenyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]-oxoammonio]formate IUPAC Name: [[6-(4-hydroxyphenyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]-oxoazaniumyl]formate Traditional Name: [[6-(4-hydroxyphenyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]-keto-ammonio]formate Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CNCC1[N+](=O)C(=O)[O-])C2=CC=C(C=C2)O

Isomeric SMILES

C1C=C(CNCC1[N+](=O)C(=O)[O-])C2=CC=C(C=C2)O

InChI

InChI=1S/C13H14N2O4/c16-12-5-2-9(3-6-12)10-1-4-11(8-14-7-10)15(19)13(17)18/h1-3,5-6,11,14H,4,7-8H2,(H-,16,17,18)