ethyl 3-oxidanylidene-3-[[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]amino]propanoate

Systemtic Name: ethyl 3-oxidanylidene-3-[[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]amino]propanoate Openeye Name: ethyl 3-oxo-3-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)anilino]propanoate CAS Name: 3-oxo-3-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)anilino]propanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-3-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)anilino]propanoate Traditional Name: 3-keto-3-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)anilino]propionic acid ethyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3

Isomeric SMILES

CCOC(=O)CC(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3

InChI

InChI=1S/C16H17N3O4/c1-2-23-14(21)8-13(20)17-10-5-3-9(4-6-10)15-11-7-12(11)16(22)19-18-15/h3-6,11-12H,2,7-8H2,1H3,(H,17,20)(H,19,22)