3-[bis(azanyl)methylideneamino]-4-(2-phenylethanoylamino)benzoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]-4-(2-phenylethanoylamino)benzoic acid Openeye Name: 3-guanidino-4-[(2-phenylacetyl)amino]benzoic acid CAS Name: 3-(diaminomethylideneamino)-4-[(1-oxo-2-phenylethyl)amino]benzoic acid IUPAC Name: 3-(diaminomethylideneamino)-4-[(2-phenylacetyl)amino]benzoic acid Traditional Name: 3-guanidino-4-[(2-phenylacetyl)amino]benzoic acid Formula: C16H16N4O3 MolecularWeight: 312.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)C(=O)O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)C(=O)O)N=C(N)N

InChI

InChI=1S/C16H16N4O3/c17-16(18)20-13-9-11(15(22)23)6-7-12(13)19-14(21)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,21)(H,22,23)(H4,17,18,20)