(4-carbamimidoylphenyl) 4-[(E)-3-chloranyl-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-3-chloranyl-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-chloro-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-chloro-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-chloro-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-chloro-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C(=O)Cl

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C(=O)Cl

InChI

InChI=1S/C18H15ClN2O3/c1-11(16(19)22)10-12-2-4-14(5-3-12)18(23)24-15-8-6-13(7-9-15)17(20)21/h2-10H,1H3,(H3,20,21)/b11-10+