3-[(3-morpholin-4-ylcarbonyl-2-oxidanyl-phenyl)amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(3-morpholin-4-ylcarbonyl-2-oxidanyl-phenyl)amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-anilino-4-[2-hydroxy-3-[4-morpholinyl(oxo)methyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-quinone Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=C(C(=CC=C2)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)O

Isomeric SMILES

C1COCCN1C(=O)C2=C(C(=CC=C2)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)O

InChI

InChI=1S/C21H19N3O5/c25-18-14(21(28)24-9-11-29-12-10-24)7-4-8-15(18)23-17-16(19(26)20(17)27)22-13-5-2-1-3-6-13/h1-8,22-23,25H,9-12H2