[(4-carbamimidoylphenyl)carbonylamino] 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)carbonylamino] 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: [(4-carbamimidoylbenzoyl)amino] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid [[(4-carbamimidoylphenyl)-oxomethyl]amino] ester IUPAC Name: [(4-carbamimidoylbenzoyl)amino] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid [(4-amidinobenzoyl)amino] ester Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)ONC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)ONC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H16N4O5/c20-17(21)11-5-7-12(8-6-11)18(26)22-28-16(25)10-23-15(24)9-13-3-1-2-4-14(13)19(23)27/h1-8H,9-10H2,(H3,20,21)(H,22,26)