[4-(3-methylbutanoyloxy)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(3-methylbutanoyloxy)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(3-methylbutanoyloxy)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(3-methyl-1-oxobutoxy)phenyl] ester IUPAC Name: [4-(3-methylbutanoyloxy)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid (4-isovaleryloxyphenyl) ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CC(C)CC(=O)OC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C19H21N3O4/c1-12(2)11-17(23)25-15-7-9-16(10-8-15)26-18(24)13-3-5-14(6-4-13)22-19(20)21/h3-10,12H,11H2,1-2H3,(H4,20,21,22)