[2-[3-[2-(1-methylpyrrol-2-yl)carbonylhydrazinyl]-3-oxidanylidene-propyl]phenyl] benzoate

Systemtic Name: [2-[3-[2-(1-methylpyrrol-2-yl)carbonylhydrazinyl]-3-oxidanylidene-propyl]phenyl] benzoate Openeye Name: [2-[3-[2-(1-methylpyrrole-2-carbonyl)hydrazino]-3-oxo-propyl]phenyl] benzoate CAS Name: benzoic acid [2-[3-[[(1-methyl-2-pyrrolyl)-oxomethyl]hydrazo]-3-oxopropyl]phenyl] ester IUPAC Name: [2-[3-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]phenyl] benzoate Traditional Name: benzoic acid [2-[3-keto-3-[N'-(1-methylpyrrole-2-carbonyl)hydrazino]propyl]phenyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NNC(=O)CCC2=CC=CC=C2OC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1C(=O)NNC(=O)CCC2=CC=CC=C2OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-25-15-7-11-18(25)21(27)24-23-20(26)14-13-16-8-5-6-12-19(16)29-22(28)17-9-3-2-4-10-17/h2-12,15H,13-14H2,1H3,(H,23,26)(H,24,27)