isoquinolin-1-yl 2-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: isoquinolin-1-yl 2-[bis(azanyl)methylideneamino]benzoate Openeye Name: 1-isoquinolyl 2-guanidinobenzoate CAS Name: 2-(diaminomethylideneamino)benzoic acid 1-isoquinolinyl ester IUPAC Name: isoquinolin-1-yl 2-(diaminomethylideneamino)benzoate Traditional Name: 2-guanidinobenzoic acid 1-isoquinolyl ester Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2OC(=O)C3=CC=CC=C3N=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2OC(=O)C3=CC=CC=C3N=C(N)N

InChI

InChI=1S/C17H14N4O2/c18-17(19)21-14-8-4-3-7-13(14)16(22)23-15-12-6-2-1-5-11(12)9-10-20-15/h1-10H,(H4,18,19,21)