(E)-4-oxidanylidene-4-[(2-oxidanylideneazepan-3-yl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(2-oxidanylideneazepan-3-yl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[(2-oxoazepan-3-yl)amino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[(2-oxo-3-azepanyl)amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[(2-oxoazepan-3-yl)amino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[(2-ketoazepan-3-yl)amino]but-2-enoic acid Formula: C10H14N2O4 MolecularWeight: 226.22916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C=CC(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C10H14N2O4/c13-8(4-5-9(14)15)12-7-3-1-2-6-11-10(7)16/h4-5,7H,1-3,6H2,(H,11,16)(H,12,13)(H,14,15)/b5-4+