methyl 4-[[4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzoate

Systemtic Name: methyl 4-[[4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-phthalazin-1-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-(4-ketocyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NNC(=C3C=CC(=O)C=C3)C4=CC=CC=C42

InChI

InChI=1S/C22H17N3O3/c1-28-22(27)15-6-10-16(11-7-15)23-21-19-5-3-2-4-18(19)20(24-25-21)14-8-12-17(26)13-9-14/h2-13,24H,1H3,(H,23,25)