[4-[2-[2-(dimethylamino)-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-[2-[2-(dimethylamino)-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-[2-[2-(dimethylamino)-2-oxo-ethoxy]-2-oxo-ethyl]phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-[2-[2-(dimethylamino)-2-keto-ethoxy]-2-keto-ethyl]phenyl] ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)