methyl 3-[bis(azanyl)methylidenecarbamoyl]-5-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-[bis(azanyl)methylidenecarbamoyl]-5-pyrrol-1-yl-benzoate Openeye Name: methyl 3-(diaminomethylenecarbamoyl)-5-pyrrol-1-yl-benzoate CAS Name: 3-[(diaminomethylideneamino)-oxomethyl]-5-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-(diaminomethylidenecarbamoyl)-5-pyrrol-1-ylbenzoate Traditional Name: 3-(diaminomethylenecarbamoyl)-5-pyrrol-1-yl-benzoic acid methyl ester Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N=C(N)N)N2C=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N=C(N)N)N2C=CC=C2

InChI

InChI=1S/C14H14N4O3/c1-21-13(20)10-6-9(12(19)17-14(15)16)7-11(8-10)18-4-2-3-5-18/h2-8H,1H3,(H4,15,16,17,19)