2-[4-[(3-bromophenyl)amino]pyrrolo[3,2-g]quinazolin-8-yl]ethanoic acid

Systemtic Name: 2-[4-[(3-bromophenyl)amino]pyrrolo[3,2-g]quinazolin-8-yl]ethanoic acid Openeye Name: 2-[4-(3-bromoanilino)pyrrolo[3,2-g]quinazolin-8-yl]acetic acid CAS Name: 2-[4-(3-bromoanilino)-8-pyrrolo[3,2-g]quinazolinyl]acetic acid IUPAC Name: 2-[4-(3-bromoanilino)pyrrolo[3,2-g]quinazolin-8-yl]acetic acid Traditional Name: 2-[4-(3-bromoanilino)pyrrolo[3,2-g]quinazolin-8-yl]acetic acid Formula: C18H13BrN4O2 MolecularWeight: 397.22542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C4C=CN(C4=C3)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C4C=CN(C4=C3)CC(=O)O

InChI

InChI=1S/C18H13BrN4O2/c19-12-2-1-3-13(7-12)22-18-14-6-11-4-5-23(9-17(24)25)16(11)8-15(14)20-10-21-18/h1-8,10H,9H2,(H,24,25)(H,20,21,22)