methyl 5-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-oxidanyl-benzoate

Systemtic Name: methyl 5-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-oxidanyl-benzoate Openeye Name: methyl 5-(3-amino-1H-isoindol-2-ium-2-yl)-2-hydroxy-benzoate CAS Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-(3-amino-1H-isoindol-2-ium-2-yl)-2-hydroxybenzoate Traditional Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)-2-hydroxy-benzoic acid methyl ester Formula: C16H15N2O3+ MolecularWeight: 283.3019

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+]2=C(C3=CC=CC=C3C2)N)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+]2=C(C3=CC=CC=C3C2)N)O

InChI

InChI=1S/C16H14N2O3/c1-21-16(20)13-8-11(6-7-14(13)19)18-9-10-4-2-3-5-12(10)15(18)17/h2-8,17H,9H2,1H3,(H,19,20)/p+1