(NE)-N-[[2-[(2E)-2-hydroxyiminoethyl]-3H-isoquinolin-3-yl]methylidene]hydroxylamine

Systemtic Name: (NE)-N-[[2-[(2E)-2-hydroxyiminoethyl]-3H-isoquinolin-3-yl]methylidene]hydroxylamine Openeye Name: (3E)-2-[(2E)-2-hydroxyiminoethyl]-3H-isoquinoline-3-carbaldehyde oxime CAS Name: (3E)-2-[(2E)-2-hydroxyiminoethyl]-3H-isoquinoline-3-carboxaldehyde oxime IUPAC Name: (NE)-N-[[2-[(2E)-2-hydroxyiminoethyl]-3H-isoquinolin-3-yl]methylidene]hydroxylamine Traditional Name: (3E)-2-[(2E)-2-hydroximinoethyl]-3H-isoquinoline-3-carbaldehyde oxime Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(N(C=C2C=C1)CC=NO)C=NO

Isomeric SMILES

C1=CC2=CC(N(C=C2C=C1)C/C=N/O)/C=N/O

InChI

InChI=1S/C12H13N3O2/c16-13-5-6-15-9-11-4-2-1-3-10(11)7-12(15)8-14-17/h1-5,7-9,12,16-17H,6H2/b13-5+,14-8+