methyl 4-[[(3Z)-4-azido-3-hydroxyimino-butyl]-methyl-amino]benzoate

Systemtic Name: methyl 4-[[(3Z)-4-azido-3-hydroxyimino-butyl]-methyl-amino]benzoate Openeye Name: methyl 4-[[(3Z)-4-azido-3-hydroxyimino-butyl]-methyl-amino]benzoate CAS Name: 4-[[(3Z)-4-azido-3-hydroxyiminobutyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3Z)-4-azido-3-hydroxyiminobutyl]-methylamino]benzoate Traditional Name: 4-[[(3Z)-4-azido-3-hydroximino-butyl]-methyl-amino]benzoic acid methyl ester Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=NO)CN=[N+]=[N-])C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CN(CC/C(=N/O)/CN=[N+]=[N-])C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H17N5O3/c1-18(8-7-11(16-20)9-15-17-14)12-5-3-10(4-6-12)13(19)21-2/h3-6,20H,7-9H2,1-2H3/b16-11-