(E)-4-(2-acetamidoethylcarbamoylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(2-acetamidoethylcarbamoylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(2-acetamidoethylcarbamoylamino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(2-acetamidoethylamino)-oxomethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(2-acetamidoethylcarbamoylamino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(2-acetamidoethylcarbamoylamino)-4-keto-but-2-enoic acid Formula: C9H13N3O5 MolecularWeight: 243.21662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)NC(=O)C=CC(=O)O

Isomeric SMILES

CC(=O)NCCNC(=O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C9H13N3O5/c1-6(13)10-4-5-11-9(17)12-7(14)2-3-8(15)16/h2-3H,4-5H2,1H3,(H,10,13)(H,15,16)(H2,11,12,14,17)/b3-2+