(E)-3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]acrylic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C=CC(=O)O

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)/C=C/C(=O)O

InChI

InChI=1S/C21H19N3O4/c1-28-17-12-24(16-9-7-15(8-10-16)20(22)23)21(27)19(17)14-5-2-13(3-6-14)4-11-18(25)26/h2-11H,12H2,1H3,(H3,22,23)(H,25,26)/b11-4+