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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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