(2-morpholin-4-yl-2-oxidanylidene-ethyl) 6-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxypyridine-3-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 6-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxypyridine-3-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 6-(4-guanidinobenzoyl)oxypyridine-3-carboxylate CAS Name: 6-[[4-(diaminomethylideneamino)phenyl]-oxomethoxy]-3-pyridinecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 6-[4-(diaminomethylideneamino)benzoyl]oxypyridine-3-carboxylate Traditional Name: 6-(4-guanidinobenzoyl)oxynicotinic acid (2-keto-2-morpholino-ethyl) ester Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CN=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CN=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C20H21N5O6/c21-20(22)24-15-4-1-13(2-5-15)19(28)31-16-6-3-14(11-23-16)18(27)30-12-17(26)25-7-9-29-10-8-25/h1-6,11H,7-10,12H2,(H4,21,22,24)