2-[(3-bromophenyl)amino]-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid

Systemtic Name: 2-[(3-bromophenyl)amino]-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid Openeye Name: 2-(3-bromoanilino)-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid CAS Name: 2-(3-bromoanilino)-2-[oxo-(6-quinazolinylamino)methyl]-3-butenoic acid IUPAC Name: 2-(3-bromoanilino)-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid Traditional Name: 2-(3-bromoanilino)-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid Formula: C19H15BrN4O3 MolecularWeight: 427.2514

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(=O)NC1=CC2=CN=CN=C2C=C1)(C(=O)O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C=CC(C(=O)NC1=CC2=CN=CN=C2C=C1)(C(=O)O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H15BrN4O3/c1-2-19(18(26)27,24-15-5-3-4-13(20)9-15)17(25)23-14-6-7-16-12(8-14)10-21-11-22-16/h2-11,24H,1H2,(H,23,25)(H,26,27)