isoquinolin-5-yl 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: isoquinolin-5-yl 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: 5-isoquinolyl 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid 5-isoquinolinyl ester IUPAC Name: isoquinolin-5-yl 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid 5-isoquinolyl ester Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

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