[(E,3S)-1-methoxy-6-[[(E,4E)-4-methoxyiminobut-2-enoyl]amino]-1-oxidanylidene-hex-5-en-3-yl] 2-iodanyl-6-oxidanyl-benzoate

Systemtic Name: [(E,3S)-1-methoxy-6-[[(E,4E)-4-methoxyiminobut-2-enoyl]amino]-1-oxidanylidene-hex-5-en-3-yl] 2-iodanyl-6-oxidanyl-benzoate Openeye Name: [(E,1S)-4-[[(E,4E)-4-methoxyiminobut-2-enoyl]amino]-1-(2-methoxy-2-oxo-ethyl)but-3-enyl] 2-hydroxy-6-iodo-benzoate CAS Name: 2-hydroxy-6-iodobenzoic acid [(E,3S)-1-methoxy-6-[[(E,4E)-4-methoxyimino-1-oxobut-2-enyl]amino]-1-oxohex-5-en-3-yl] ester IUPAC Name: [(E,3S)-1-methoxy-6-[[(E,4E)-4-methoxyiminobut-2-enoyl]amino]-1-oxohex-5-en-3-yl] 2-hydroxy-6-iodobenzoate Traditional Name: 2-hydroxy-6-iodo-benzoic acid [(E,1S)-1-(2-keto-2-methoxy-ethyl)-4-[[(E,4E)-4-methyloximinobut-2-enoyl]amino]but-3-enyl] ester Formula: C19H21IN2O7 MolecularWeight: 516.28371

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC=CNC(=O)C=CC=NOC)OC(=O)C1=C(C=CC=C1I)O

Isomeric SMILES

COC(=O)C[C@H](C/C=C/NC(=O)/C=C/C=N/OC)OC(=O)C1=C(C=CC=C1I)O

InChI

InChI=1S/C19H21IN2O7/c1-27-17(25)12-13(6-4-10-21-16(24)9-5-11-22-28-2)29-19(26)18-14(20)7-3-8-15(18)23/h3-5,7-11,13,23H,6,12H2,1-2H3,(H,21,24)/b9-5+,10-4+,22-11+/t13-/m0/s1