6-[2-azanyl-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[2-azanyl-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(4-chlorophenyl)-1H-pyrimidin-6-ylidene]-3-(4-nitrobenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C23H17ClN4O4 MolecularWeight: 448.85848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=CC(=O)C(=C3C(=CN=C(N3)N)C4=CC=C(C=C4)Cl)C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC2=CC(=O)C(=C3C(=CN=C(N3)N)C4=CC=C(C=C4)Cl)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN4O4/c24-16-5-3-15(4-6-16)20-12-26-23(25)27-22(20)19-10-9-18(11-21(19)29)32-13-14-1-7-17(8-2-14)28(30)31/h1-12H,13H2,(H3,25,26,27)