[3-(1-methylcyclopropyl)carbonyloxyphenyl] 4-[bis(azanyl)methylideneamino]-2-chloranyl-benzoate

Systemtic Name: [3-(1-methylcyclopropyl)carbonyloxyphenyl] 4-[bis(azanyl)methylideneamino]-2-chloranyl-benzoate Openeye Name: [3-(1-methylcyclopropanecarbonyl)oxyphenyl] 2-chloro-4-guanidino-benzoate CAS Name: 2-chloro-4-(diaminomethylideneamino)benzoic acid [3-[(1-methylcyclopropyl)-oxomethoxy]phenyl] ester IUPAC Name: [3-(1-methylcyclopropanecarbonyl)oxyphenyl] 2-chloro-4-(diaminomethylideneamino)benzoate Traditional Name: 2-chloro-4-guanidino-benzoic acid [3-(1-methylcyclopropanecarbonyl)oxyphenyl] ester Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4/c1-19(7-8-19)17(25)27-13-4-2-3-12(10-13)26-16(24)14-6-5-11(9-15(14)20)23-18(21)22/h2-6,9-10H,7-8H2,1H3,(H4,21,22,23)