(5-methyl-2-propan-2-yl-phenyl) 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C18H21N3O2/c1-11(2)15-9-4-12(3)10-16(15)23-17(22)13-5-7-14(8-6-13)21-18(19)20/h4-11H,1-3H3,(H4,19,20,21)