methyl 2-[[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]carbamoylamino]benzoate

Systemtic Name: methyl 2-[[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]carbamoylamino]benzoate Openeye Name: methyl 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamoylamino]benzoate CAS Name: 2-[[[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]hydrazo]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamoylamino]benzoate Traditional Name: 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamoylamino]benzoic acid methyl ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)NNC(=O)CCC2=CC(=C(C=C2)O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)NNC(=O)CCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C18H19N3O6/c1-27-17(25)12-4-2-3-5-13(12)19-18(26)21-20-16(24)9-7-11-6-8-14(22)15(23)10-11/h2-6,8,10,22-23H,7,9H2,1H3,(H,20,24)(H2,19,21,26)