3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[4-oxidanylidene-3-(1H-pyridin-4-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[4-oxidanylidene-3-(1H-pyridin-4-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[4-oxo-3-(1H-pyridin-4-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[4-oxo-3-(1H-pyridin-4-ylidene)-1-cyclohexa-1,5-dienyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[4-oxo-3-(1H-pyridin-4-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[4-keto-3-(1H-pyridin-4-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-quinone Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=CC(=C4C=CNC=C4)C(=O)C=C3

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=CC(=C4C=CNC=C4)C(=O)C=C3

InChI

InChI=1S/C23H19N3O4/c1-13(15-3-2-4-17(27)11-15)25-20-21(23(30)22(20)29)26-16-5-6-19(28)18(12-16)14-7-9-24-10-8-14/h2-13,24-27H,1H3/t13-/m0/s1