methyl (2Z)-2-(3-oxidanylidene-1,4-diazepan-2-ylidene)ethanoate

Systemtic Name: methyl (2Z)-2-(3-oxidanylidene-1,4-diazepan-2-ylidene)ethanoate Openeye Name: methyl (2Z)-2-(3-oxo-1,4-diazepan-2-ylidene)acetate CAS Name: (2Z)-2-(3-oxo-1,4-diazepan-2-ylidene)acetic acid methyl ester IUPAC Name: methyl (2Z)-2-(3-oxo-1,4-diazepan-2-ylidene)acetate Traditional Name: (2Z)-2-(3-keto-1,4-diazepan-2-ylidene)acetic acid methyl ester Formula: C8H12N2O3 MolecularWeight: 184.19248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1C(=O)NCCCN1

Isomeric SMILES

COC(=O)/C=C\1/C(=O)NCCCN1

InChI

InChI=1S/C8H12N2O3/c1-13-7(11)5-6-8(12)10-4-2-3-9-6/h5,9H,2-4H2,1H3,(H,10,12)/b6-5-