4-[ethanoyl-(5-oxidanylidene-2,3,3a,4-tetrahydro-1H-acenaphthylen-4-yl)amino]but-2-ynoic acid

Systemtic Name: 4-[ethanoyl-(5-oxidanylidene-2,3,3a,4-tetrahydro-1H-acenaphthylen-4-yl)amino]but-2-ynoic acid Openeye Name: 4-[acetyl-(5-oxo-2,3,3a,4-tetrahydro-1H-acenaphthylen-4-yl)amino]but-2-ynoic acid CAS Name: 4-[acetyl-(5-oxo-2,3,3a,4-tetrahydro-1H-acenaphthylen-4-yl)amino]-2-butynoic acid IUPAC Name: 4-[acetyl-(5-oxo-2,3,3a,4-tetrahydro-1H-acenaphthylen-4-yl)amino]but-2-ynoic acid Traditional Name: 4-[acetyl-(5-keto-2,3,3a,4-tetrahydro-1H-acenaphthylen-4-yl)amino]but-2-ynoic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC#CC(=O)O)C1CC2CCC3=CC=CC(=C23)C1=O

Isomeric SMILES

CC(=O)N(CC#CC(=O)O)C1CC2CCC3=CC=CC(=C23)C1=O

InChI

InChI=1S/C18H17NO4/c1-11(20)19(9-3-6-16(21)22)15-10-13-8-7-12-4-2-5-14(17(12)13)18(15)23/h2,4-5,13,15H,7-10H2,1H3,(H,21,22)