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sodium 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzoate

sodium 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzoate

Systemtic Name:sodium 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzoate
Openeye Name:sodium 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzoate
CAS Name:sodium 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzoate
IUPAC Name:sodium 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzoate
Traditional Name:sodium 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzoate
Formula: C17H13N2NaO5
MolecularWeight: 348.28529
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)[O-])CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-].[Na+]


Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)[O-])CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-].[Na+]


InChI

InChI=1S/C17H14N2O5.Na/c1-24-16-7-11(17(20)21)3-2-10(16)6-12-9-18-15-5-4-13(19(22)23)8-14(12)15;/h2-5,7-9,18H,6H2,1H3,(H,20,21);/q;+1/p-1


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