[2-(butylamino)-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H19NO5 MolecularWeight: 317.33646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O

InChI

InChI=1S/C17H19NO5/c1-2-3-8-18-15(20)10-23-17(22)13-9-14(19)11-6-4-5-7-12(11)16(13)21/h4-7,9,19,21H,2-3,8,10H2,1H3,(H,18,20)