(E)-4-[(3-bromophenyl)amino]-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid

Systemtic Name: (E)-4-[(3-bromophenyl)amino]-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid Openeye Name: (E)-4-(3-bromoanilino)-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid CAS Name: (E)-4-(3-bromoanilino)-2-[oxo-(6-quinazolinylamino)methyl]-3-butenoic acid IUPAC Name: (E)-4-(3-bromoanilino)-2-(quinazolin-6-ylcarbamoyl)but-3-enoic acid Traditional Name: (E)-4-(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:

C1=CC(=CC(=C1)Br)NC=CC(C(=O)NC2=CC3=CN=CN=C3C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)N/C=C/C(C(=O)NC2=CC3=CN=CN=C3C=C2)C(=O)O

InChI

InChI=1S/C19H15BrN4O3/c20-13-2-1-3-14(9-13)22-7-6-16(19(26)27)18(25)24-15-4-5-17-12(8-15)10-21-11-23-17/h1-11,16,22H,(H,24,25)(H,26,27)/b7-6+