1-[(2-hydroxyphenyl)methoxyamino]-4-[(4-pyren-1-yl-1,3,5-triazin-2-yl)amino]anthracene-9,10-dione

Systemtic Name: 1-[(2-hydroxyphenyl)methoxyamino]-4-[(4-pyren-1-yl-1,3,5-triazin-2-yl)amino]anthracene-9,10-dione Openeye Name: 1-[(2-hydroxyphenyl)methoxyamino]-4-[(4-pyren-1-yl-1,3,5-triazin-2-yl)amino]anthracene-9,10-dione CAS Name: 1-[(2-hydroxyphenyl)methoxyamino]-4-[[4-(1-pyrenyl)-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione IUPAC Name: 1-[(2-hydroxyphenyl)methoxyamino]-4-[(4-pyren-1-yl-1,3,5-triazin-2-yl)amino]anthracene-9,10-dione Traditional Name: 1-[(4-pyren-1-yl-s-triazin-2-yl)amino]-4-(salicyloxyamino)-9,10-anthraquinone Formula: C40H25N5O4 MolecularWeight: 639.6576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CONC2=C3C(=C(C=C2)NC4=NC=NC(=N4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C(=O)C9=CC=CC=C9C3=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CONC2=C3C(=C(C=C2)NC4=NC=NC(=N4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C(=O)C9=CC=CC=C9C3=O)O

InChI

InChI=1S/C40H25N5O4/c46-32-11-4-1-6-25(32)20-49-45-31-19-18-30(35-36(31)38(48)28-10-3-2-9-27(28)37(35)47)43-40-42-21-41-39(44-40)29-17-15-24-13-12-22-7-5-8-23-14-16-26(29)34(24)33(22)23/h1-19,21,45-46H,20H2,(H,41,42,43,44)