O1-ethyl O6,O7-dimethyl 5-azanyl-3-(4-chlorophenyl)-4-oxidanylidene-phthalazine-1,6,7-tricarboxylate

Systemtic Name: O1-ethyl O6,O7-dimethyl 5-azanyl-3-(4-chlorophenyl)-4-oxidanylidene-phthalazine-1,6,7-tricarboxylate Openeye Name: O1-ethyl O6,O7-dimethyl 5-amino-3-(4-chlorophenyl)-4-oxo-phthalazine-1,6,7-tricarboxylate CAS Name: 5-amino-3-(4-chlorophenyl)-4-oxophthalazine-1,6,7-tricarboxylic acid O1-ethyl ester O6,O7-dimethyl ester IUPAC Name: 1-O-ethyl 6-O,7-O-dimethyl 5-amino-3-(4-chlorophenyl)-4-oxophthalazine-1,6,7-tricarboxylate Traditional Name: 5-amino-3-(4-chlorophenyl)-4-keto-phthalazine-1,6,7-tricarboxylic acid O1-ethyl ester O6,O7-dimethyl ester Formula: C21H18ClN3O7 MolecularWeight: 459.83652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(C(=C(C=C21)C(=O)OC)C(=O)OC)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(C(=C(C=C21)C(=O)OC)C(=O)OC)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O7/c1-4-32-21(29)17-12-9-13(19(27)30-2)15(20(28)31-3)16(23)14(12)18(26)25(24-17)11-7-5-10(22)6-8-11/h5-9H,4,23H2,1-3H3