methyl 2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxy-6-carbamimidoyl-naphthalene-1-carboxylate

Systemtic Name: methyl 2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxy-6-carbamimidoyl-naphthalene-1-carboxylate Openeye Name: methyl 6-carbamimidoyl-2-(4-guanidinobenzoyl)oxy-naphthalene-1-carboxylate CAS Name: 6-carbamimidoyl-2-[[4-(diaminomethylideneamino)phenyl]-oxomethoxy]-1-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 6-carbamimidoyl-2-[4-(diaminomethylideneamino)benzoyl]oxynaphthalene-1-carboxylate Traditional Name: 6-amidino-2-(4-guanidinobenzoyl)oxy-naphthalene-1-carboxylic acid methyl ester Formula: C21H19N5O4 MolecularWeight: 405.40666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC2=C1C=CC(=C2)C(=N)N)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

COC(=O)C1=C(C=CC2=C1C=CC(=C2)C(=N)N)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C21H19N5O4/c1-29-20(28)17-15-8-4-13(18(22)23)10-12(15)5-9-16(17)30-19(27)11-2-6-14(7-3-11)26-21(24)25/h2-10H,1H3,(H3,22,23)(H4,24,25,26)