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

Systemtic Name: (phenylmethyl) 1-[3-[bis(azanyl)methylidenecarbamoyl]phenyl]pyrrole-2-carboxylate Openeye Name: benzyl 1-[3-(diaminomethylenecarbamoyl)phenyl]pyrrole-2-carboxylate CAS Name: 1-[3-[(diaminomethylideneamino)-oxomethyl]phenyl]-2-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[3-(diaminomethylidenecarbamoyl)phenyl]pyrrole-2-carboxylate Traditional Name: 1-[3-(diaminomethylenecarbamoyl)phenyl]pyrrole-2-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=CC=CN2C3=CC=CC(=C3)C(=O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CN2C3=CC=CC(=C3)C(=O)N=C(N)N

InChI

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