(phenylmethyl) 1-[2-[bis(azanyl)methylidenecarbamoyl]phenyl]pyrrole-3-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-[bis(azanyl)methylidenecarbamoyl]phenyl]pyrrole-3-carboxylate Openeye Name: benzyl 1-[2-(diaminomethylenecarbamoyl)phenyl]pyrrole-3-carboxylate CAS Name: 1-[2-[(diaminomethylideneamino)-oxomethyl]phenyl]-3-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-(diaminomethylidenecarbamoyl)phenyl]pyrrole-3-carboxylate Traditional Name: 1-[2-(diaminomethylenecarbamoyl)phenyl]pyrrole-3-carboxylic acid benzyl ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CN(C=C2)C3=CC=CC=C3C(=O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CN(C=C2)C3=CC=CC=C3C(=O)N=C(N)N

InChI

InChI=1S/C20H18N4O3/c21-20(22)23-18(25)16-8-4-5-9-17(16)24-11-10-15(12-24)19(26)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H4,21,22,23,25)