methyl (2E)-2-methoxyimino-2-[(6Z)-6-(phenoxymethylidene)cyclohexa-1,3-dien-1-yl]ethanoate hydrate

Systemtic Name: methyl (2E)-2-methoxyimino-2-[(6Z)-6-(phenoxymethylidene)cyclohexa-1,3-dien-1-yl]ethanoate hydrate Openeye Name: methyl (2E)-2-methoxyimino-2-[(6Z)-6-(phenoxymethylene)cyclohexa-1,3-dien-1-yl]acetate hydrate CAS Name: (2E)-2-methoxyimino-2-[(6Z)-6-(phenoxymethylidene)-1-cyclohexa-1,3-dienyl]acetic acid methyl ester hydrate IUPAC Name: methyl (2E)-2-methoxyimino-2-[(6Z)-6-(phenoxymethylidene)cyclohexa-1,3-dien-1-yl]acetate hydrate Traditional Name: (2E)-2-methyloximino-2-[(6Z)-6-(phenoxymethylene)cyclohexa-1,3-dien-1-yl]acetic acid methyl ester hydrate Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=NOC)C1=CC=CCC1=COC2=CC=CC=C2.O

Isomeric SMILES

COC(=O)/C(=N/OC)/C\1=CC=CC/C1=C/OC2=CC=CC=C2.O

InChI

InChI=1S/C17H17NO4.H2O/c1-20-17(19)16(18-21-2)15-11-7-6-8-13(15)12-22-14-9-4-3-5-10-14;/h3-7,9-12H,8H2,1-2H3;1H2/b13-12-,18-16+;