(E)-3-[3-[bis(azanyl)methylidenecarbamoyl]-5-pyrrol-1-yl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[bis(azanyl)methylidenecarbamoyl]-5-pyrrol-1-yl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(diaminomethylenecarbamoyl)-5-pyrrol-1-yl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[(diaminomethylideneamino)-oxomethyl]-5-(1-pyrrolyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(diaminomethylidenecarbamoyl)-5-pyrrol-1-ylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(diaminomethylenecarbamoyl)-5-pyrrol-1-yl-phenyl]acrylic acid Formula: C15H14N4O3 MolecularWeight: 298.29666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=CC(=C2)C(=O)N=C(N)N)C=CC(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=CC(=CC(=C2)C(=O)N=C(N)N)/C=C/C(=O)O

InChI

InChI=1S/C15H14N4O3/c16-15(17)18-14(22)11-7-10(3-4-13(20)21)8-12(9-11)19-5-1-2-6-19/h1-9H,(H,20,21)(H4,16,17,18,22)/b4-3+