2-[2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoylamino]naphthalene-1-carboxylate

Systemtic Name: 2-[2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoylamino]naphthalene-1-carboxylate Openeye Name: 2-[[2-[(3-guanidinobenzoyl)amino]acetyl]amino]naphthalene-1-carboxylate CAS Name: 2-[[2-[[[3-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-naphthalenecarboxylate IUPAC Name: 2-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]naphthalene-1-carboxylate Traditional Name: 2-[[2-[(3-guanidinobenzoyl)amino]acetyl]amino]-1-naphthoate Formula: C21H18N5O4- MolecularWeight: 404.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C(=O)[O-])NC(=O)CNC(=O)C3=CC(=CC=C3)N=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2C(=O)[O-])NC(=O)CNC(=O)C3=CC(=CC=C3)N=C(N)N

InChI

InChI=1S/C21H19N5O4/c22-21(23)25-14-6-3-5-13(10-14)19(28)24-11-17(27)26-16-9-8-12-4-1-2-7-15(12)18(16)20(29)30/h1-10H,11H2,(H,24,28)(H,26,27)(H,29,30)(H4,22,23,25)/p-1