nonyl 2-azanyl-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: nonyl 2-azanyl-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-bromophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C26H29BrN4O2 MolecularWeight: 509.43806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C26H29BrN4O2/c1-2-3-4-5-6-7-10-17-33-26(32)22-23-25(30-21-12-9-8-11-20(21)29-23)31(24(22)28)19-15-13-18(27)14-16-19/h8-9,11-16H,2-7,10,17,28H2,1H3