3-[2-(4-carbamimidoylphenyl)carbonylhydrazinyl]-2-(3-methylphenoxy)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-(4-carbamimidoylphenyl)carbonylhydrazinyl]-2-(3-methylphenoxy)-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-(4-carbamimidoylbenzoyl)hydrazino]-2-(3-methylphenoxy)-3-oxo-propanoic acid CAS Name: 3-[[(4-carbamimidoylphenyl)-oxomethyl]hydrazo]-2-(3-methylphenoxy)-3-oxopropanoic acid IUPAC Name: 3-[2-(4-carbamimidoylbenzoyl)hydrazinyl]-2-(3-methylphenoxy)-3-oxopropanoic acid Traditional Name: 3-[N'-(4-amidinobenzoyl)hydrazino]-3-keto-2-(3-methylphenoxy)propionic acid Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C(=O)NNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OC(C(=O)NNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C18H18N4O5/c1-10-3-2-4-13(9-10)27-14(18(25)26)17(24)22-21-16(23)12-7-5-11(6-8-12)15(19)20/h2-9,14H,1H3,(H3,19,20)(H,21,23)(H,22,24)(H,25,26)