magnesium 4-[(7Z)-5-azanyl-7-(7-methoxyindol-2-ylidene)-1,2,8-triaza-4-azanidabicyclo[4.3.0]nona-2,5,8-trien-9-yl]cyclohexane-1-carboxylate

Systemtic Name: magnesium 4-[(7Z)-5-azanyl-7-(7-methoxyindol-2-ylidene)-1,2,8-triaza-4-azanidabicyclo[4.3.0]nona-2,5,8-trien-9-yl]cyclohexane-1-carboxylate Openeye Name: magnesium 4-[(7Z)-5-amino-7-(7-methoxyindol-2-ylidene)-1,2,8-triaza-4-azanidabicyclo[4.3.0]nona-2,5,8-trien-9-yl]cyclohexanecarboxylate CAS Name: magnesium 4-[(7Z)-5-amino-7-(7-methoxy-2-indolylidene)-1,2,8-triaza-4-azanidabicyclo[4.3.0]nona-2,5,8-trien-9-yl]-1-cyclohexanecarboxylate IUPAC Name: magnesium 4-[(7Z)-5-amino-7-(7-methoxyindol-2-ylidene)-1,2,8-triaza-4-azanidabicyclo[4.3.0]nona-2,5,8-trien-9-yl]cyclohexane-1-carboxylate Traditional Name: magnesium 4-[(7Z)-5-amino-7-(7-methoxyindol-2-ylidene)-1,2,8-triaza-4-azanidabicyclo[4.3.0]nona-2,5,8-trien-9-yl]cyclohexanecarboxylate Formula: C21H20MgN6O3 MolecularWeight: 428.7269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=CC(=C3C4=C([N-]C=NN4C(=N3)C5CCC(CC5)C(=O)[O-])N)N=C21.[Mg+2]

Isomeric SMILES

COC1=CC=CC2=C/C(=C/3\C4=C([N-]C=NN4C(=N3)C5CCC(CC5)C(=O)[O-])N)/N=C21.[Mg+2]

InChI

InChI=1S/C21H22N6O3.Mg/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29;/h2-4,9-12H,5-8H2,1H3,(H4,22,23,24,25,28,29);/q;+2/p-2