4-[(4-aminophenyl)amino]-6-bromanyl-quinoline-3-carboxylate

Systemtic Name: 4-[(4-aminophenyl)amino]-6-bromanyl-quinoline-3-carboxylate Openeye Name: 4-(4-aminoanilino)-6-bromo-quinoline-3-carboxylate CAS Name: 4-(4-aminoanilino)-6-bromo-3-quinolinecarboxylate IUPAC Name: 4-(4-aminoanilino)-6-bromoquinoline-3-carboxylate Traditional Name: 4-(4-aminoanilino)-6-bromo-quinoline-3-carboxylate Formula: C16H11BrN3O2- MolecularWeight: 357.18144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC2=C3C=C(C=CC3=NC=C2C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1N)NC2=C3C=C(C=CC3=NC=C2C(=O)[O-])Br

InChI

InChI=1S/C16H12BrN3O2/c17-9-1-6-14-12(7-9)15(13(8-19-14)16(21)22)20-11-4-2-10(18)3-5-11/h1-8H,18H2,(H,19,20)(H,21,22)/p-1