2-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]hexanoic acid

Systemtic Name: 2-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]hexanoic acid Openeye Name: 2-[(3-chloro-1,4-dioxo-2-naphthyl)amino]hexanoic acid CAS Name: 2-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]hexanoic acid IUPAC Name: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]hexanoic acid Traditional Name: 2-[(3-chloro-1,4-diketo-2-naphthyl)amino]hexanoic acid Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

Isomeric SMILES

CCCCC(C(=O)O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

InChI

InChI=1S/C16H16ClNO4/c1-2-3-8-11(16(21)22)18-13-12(17)14(19)9-6-4-5-7-10(9)15(13)20/h4-7,11,18H,2-3,8H2,1H3,(H,21,22)