[4-(3-methoxy-3-oxidanylidene-propyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(3-methoxy-3-oxidanylidene-propyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(3-methoxy-3-oxo-propyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(3-methoxy-3-oxopropyl)phenyl] ester IUPAC Name: [4-(3-methoxy-3-oxopropyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(3-keto-3-methoxy-propyl)phenyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C18H19N3O4/c1-24-16(22)11-4-12-2-9-15(10-3-12)25-17(23)13-5-7-14(8-6-13)21-18(19)20/h2-3,5-10H,4,11H2,1H3,(H4,19,20,21)