2-[[2-[4-(cyclopropylcarbonylamino)phenyl]-2-oxidanylidene-ethyl]-methyl-azaniumyl]ethanoate

Systemtic Name: 2-[[2-[4-(cyclopropylcarbonylamino)phenyl]-2-oxidanylidene-ethyl]-methyl-azaniumyl]ethanoate Openeye Name: 2-[[2-[4-(cyclopropanecarbonylamino)phenyl]-2-oxo-ethyl]-methyl-ammonio]acetate CAS Name: 2-[[2-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-2-oxoethyl]-methylammonio]acetate IUPAC Name: 2-[[2-[4-(cyclopropanecarbonylamino)phenyl]-2-oxoethyl]-methylazaniumyl]acetate Traditional Name: 2-[[2-[4-(cyclopropanecarbonylamino)phenyl]-2-keto-ethyl]-methyl-ammonio]acetate Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)C1=CC=C(C=C1)NC(=O)C2CC2)CC(=O)[O-]

Isomeric SMILES

C[NH+](CC(=O)C1=CC=C(C=C1)NC(=O)C2CC2)CC(=O)[O-]

InChI

InChI=1S/C15H18N2O4/c1-17(9-14(19)20)8-13(18)10-4-6-12(7-5-10)16-15(21)11-2-3-11/h4-7,11H,2-3,8-9H2,1H3,(H,16,21)(H,19,20)