(E)-4-[[3-(dimethylazaniumyl)-2,2-dimethyl-propyl]carbamoylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[3-(dimethylazaniumyl)-2,2-dimethyl-propyl]carbamoylamino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[3-(dimethylammonio)-2,2-dimethyl-propyl]carbamoylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[3-(dimethylammonio)-2,2-dimethylpropyl]amino]-oxomethyl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[3-(dimethylazaniumyl)-2,2-dimethylpropyl]carbamoylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[3-(dimethylammonio)-2,2-dimethyl-propyl]carbamoylamino]-4-keto-but-2-enoate Formula: C12H21N3O4 MolecularWeight: 271.31284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(CNC(=O)NC(=O)/C=C/C(=O)[O-])C[NH+](C)C

InChI

InChI=1S/C12H21N3O4/c1-12(2,8-15(3)4)7-13-11(19)14-9(16)5-6-10(17)18/h5-6H,7-8H2,1-4H3,(H,17,18)(H2,13,14,16,19)/b6-5+