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

Systemtic Name: nonyl 2-azanyl-1-(2-iodanylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-(2-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(2-iodophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-(2-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(2-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C26H29IN4O2 MolecularWeight: 556.43853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC=C4I)N

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC=C4I)N

InChI

InChI=1S/C26H29IN4O2/c1-2-3-4-5-6-7-12-17-33-26(32)22-23-25(30-20-15-10-9-14-19(20)29-23)31(24(22)28)21-16-11-8-13-18(21)27/h8-11,13-16H,2-7,12,17,28H2,1H3