isoquinolin-5-ylcarbamoyl 2-azanylbenzoate

Systemtic Name: isoquinolin-5-ylcarbamoyl 2-azanylbenzoate Openeye Name: 5-isoquinolylcarbamoyl 2-aminobenzoate CAS Name: 2-aminobenzoic acid [(5-isoquinolinylamino)-oxomethyl] ester IUPAC Name: isoquinolin-5-ylcarbamoyl 2-aminobenzoate Traditional Name: 2-aminobenzoic acid 5-isoquinolylcarbamoyl ester Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC(=O)NC2=CC=CC3=C2C=CN=C3)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC(=O)NC2=CC=CC3=C2C=CN=C3)N

InChI

InChI=1S/C17H13N3O3/c18-14-6-2-1-5-13(14)16(21)23-17(22)20-15-7-3-4-11-10-19-9-8-12(11)15/h1-10H,18H2,(H,20,22)