(E)-4-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(azepane-1-carbonyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-[1-azepanyl(oxo)methyl]anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(azepane-1-carbonyl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-(azepane-1-carbonyl)anilino]-4-keto-but-2-enoic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C=CC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H20N2O4/c20-15(9-10-16(21)22)18-14-8-4-3-7-13(14)17(23)19-11-5-1-2-6-12-19/h3-4,7-10H,1-2,5-6,11-12H2,(H,18,20)(H,21,22)/b10-9+