(E)-4-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-methyl-1,4-diazepan-1-yl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-methyl-1,4-diazepan-1-yl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-methyl-1,4-diazepan-1-yl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(4-methyl-1,4-diazepan-1-yl)but-2-enoic acid Formula: C10H16N2O3 MolecularWeight: 212.24564

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C=CC(=O)O

Isomeric SMILES

CN1CCCN(CC1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C10H16N2O3/c1-11-5-2-6-12(8-7-11)9(13)3-4-10(14)15/h3-4H,2,5-8H2,1H3,(H,14,15)/b4-3+