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

Systemtic Name: 3-[[3-morpholin-4-yl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]benzoic acid Openeye Name: 3-[(3-morpholino-1,4-dioxo-2-naphthyl)amino]benzoic acid CAS Name: 3-[[3-(4-morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid IUPAC Name: 3-[(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoic acid Traditional Name: 3-[(1,4-diketo-3-morpholino-2-naphthyl)amino]benzoic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H18N2O5/c24-19-15-6-1-2-7-16(15)20(25)18(23-8-10-28-11-9-23)17(19)22-14-5-3-4-13(12-14)21(26)27/h1-7,12,22H,8-11H2,(H,26,27)