3-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H11ClN4O4 MolecularWeight: 382.75734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C18H11ClN4O4/c19-9-5-6-12-13(7-9)20-14(21-16(12)24)8-23-17(25)11-4-2-1-3-10(11)15(22-23)18(26)27/h1-7H,8H2,(H,26,27)(H,20,21,24)