[3-(1-methylcyclopropyl)carbonyloxyphenyl] 4-[bis(azanyl)methylideneamino]-3-bromanyl-benzoate

Systemtic Name: [3-(1-methylcyclopropyl)carbonyloxyphenyl] 4-[bis(azanyl)methylideneamino]-3-bromanyl-benzoate Openeye Name: [3-(1-methylcyclopropanecarbonyl)oxyphenyl] 3-bromo-4-guanidino-benzoate CAS Name: 3-bromo-4-(diaminomethylideneamino)benzoic acid [3-[(1-methylcyclopropyl)-oxomethoxy]phenyl] ester IUPAC Name: [3-(1-methylcyclopropanecarbonyl)oxyphenyl] 3-bromo-4-(diaminomethylideneamino)benzoate Traditional Name: 3-bromo-4-guanidino-benzoic acid [3-(1-methylcyclopropanecarbonyl)oxyphenyl] ester Formula: C19H18BrN3O4 MolecularWeight: 432.26792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C(=O)OC2=CC=CC(=C2)OC(=O)C3=CC(=C(C=C3)N=C(N)N)Br

Isomeric SMILES

CC1(CC1)C(=O)OC2=CC=CC(=C2)OC(=O)C3=CC(=C(C=C3)N=C(N)N)Br

InChI

InChI=1S/C19H18BrN3O4/c1-19(7-8-19)17(25)27-13-4-2-3-12(10-13)26-16(24)11-5-6-15(14(20)9-11)23-18(21)22/h2-6,9-10H,7-8H2,1H3,(H4,21,22,23)