methyl 3-carbamimidoyl-4-[4-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-5-oxidanylidene-1,2,4-triazol-1-yl]benzoate

Systemtic Name: methyl 3-carbamimidoyl-4-[4-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-5-oxidanylidene-1,2,4-triazol-1-yl]benzoate Openeye Name: methyl 3-carbamimidoyl-4-[4-[4-(3-methoxy-3-oxo-propyl)phenyl]-5-oxo-1,2,4-triazol-1-yl]benzoate CAS Name: 3-carbamimidoyl-4-[4-[4-(3-methoxy-3-oxopropyl)phenyl]-5-oxo-1,2,4-triazol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-[4-[4-(3-methoxy-3-oxopropyl)phenyl]-5-oxo-1,2,4-triazol-1-yl]benzoate Traditional Name: 3-amidino-4-[5-keto-4-[4-(3-keto-3-methoxy-propyl)phenyl]-1,2,4-triazol-1-yl]benzoic acid methyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C=NN(C2=O)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C=NN(C2=O)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

InChI

InChI=1S/C21H21N5O5/c1-30-18(27)10-5-13-3-7-15(8-4-13)25-12-24-26(21(25)29)17-9-6-14(20(28)31-2)11-16(17)19(22)23/h3-4,6-9,11-12H,5,10H2,1-2H3,(H3,22,23)