3-(3-azanyl-2-cyano-pyrazino[2,3-b]indol-4-yl)benzoic acid

Systemtic Name: 3-(3-azanyl-2-cyano-pyrazino[2,3-b]indol-4-yl)benzoic acid Openeye Name: 3-(3-amino-2-cyano-pyrazino[2,3-b]indol-4-yl)benzoic acid CAS Name: 3-(3-amino-2-cyano-4-pyrazino[2,3-b]indolyl)benzoic acid IUPAC Name: 3-(3-amino-2-cyanopyrazino[2,3-b]indol-4-yl)benzoic acid Traditional Name: 3-(3-amino-2-cyano-pyrazin[2,3-b]indol-4-yl)benzoic acid Formula: C18H11N5O2 MolecularWeight: 329.31224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=NC(=C(N(C3=N2)C4=CC=CC(=C4)C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=NC(=C(N(C3=N2)C4=CC=CC(=C4)C(=O)O)N)C#N

InChI

InChI=1S/C18H11N5O2/c19-9-14-16(20)23(11-5-3-4-10(8-11)18(24)25)17-15(21-14)12-6-1-2-7-13(12)22-17/h1-8H,20H2,(H,24,25)