[4-(propan-2-ylcarbamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(propan-2-ylcarbamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(isopropylcarbamoyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[oxo-(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-(propan-2-ylcarbamoyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(isopropylcarbamoyl)phenyl] ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-11(2)21-16(23)12-5-9-15(10-6-12)25-17(24)13-3-7-14(8-4-13)22-18(19)20/h3-11H,1-2H3,(H,21,23)(H4,19,20,22)