(E)-but-2-enedioic acid; 2-(tert-butylamino)-7-chloranyl-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-(tert-butylamino)-7-chloranyl-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 2-(tert-butylamino)-7-chloro-tetralin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(tert-butylamino)-7-chloro-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: (E)-but-2-enedioic acid; 2-(tert-butylamino)-7-chloro-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 2-(tert-butylamino)-7-chloro-tetralin-1-one; fumaric acid Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1CCC2=C(C1=O)C=C(C=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NC1CCC2=C(C1=O)C=C(C=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18ClNO.C4H4O4/c1-14(2,3)16-12-7-5-9-4-6-10(15)8-11(9)13(12)17;5-3(6)1-2-4(7)8/h4,6,8,12,16H,5,7H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+