[3-(quinazolin-4-ylamino)phenyl] 2,4-bis(chloranyl)benzoate

Systemtic Name: [3-(quinazolin-4-ylamino)phenyl] 2,4-bis(chloranyl)benzoate Openeye Name: [3-(quinazolin-4-ylamino)phenyl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [3-(4-quinazolinylamino)phenyl] ester IUPAC Name: [3-(quinazolin-4-ylamino)phenyl] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [3-(quinazolin-4-ylamino)phenyl] ester Formula: C21H13Cl2N3O2 MolecularWeight: 410.25282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H13Cl2N3O2/c22-13-8-9-16(18(23)10-13)21(27)28-15-5-3-4-14(11-15)26-20-17-6-1-2-7-19(17)24-12-25-20/h1-12H,(H,24,25,26)