3-[bis(azanyl)methylidenecarbamoyl]-5-pyrrol-1-yl-benzoic acid

Systemtic Name: 3-[bis(azanyl)methylidenecarbamoyl]-5-pyrrol-1-yl-benzoic acid Openeye Name: 3-(diaminomethylenecarbamoyl)-5-pyrrol-1-yl-benzoic acid CAS Name: 3-[(diaminomethylideneamino)-oxomethyl]-5-(1-pyrrolyl)benzoic acid IUPAC Name: 3-(diaminomethylidenecarbamoyl)-5-pyrrol-1-ylbenzoic acid Traditional Name: 3-(diaminomethylenecarbamoyl)-5-pyrrol-1-yl-benzoic acid Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O3/c14-13(15)16-11(18)8-5-9(12(19)20)7-10(6-8)17-3-1-2-4-17/h1-7H,(H,19,20)(H4,14,15,16,18)