ethyl 4-[[(4-pyrrol-1-ylphenyl)carbonylamino]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[(4-pyrrol-1-ylphenyl)carbonylamino]carbamoylamino]benzoate Openeye Name: ethyl 4-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoylamino]benzoate CAS Name: 4-[[oxo-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]hydrazo]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoylamino]benzoate Traditional Name: 4-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoylamino]benzoic acid ethyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C21H20N4O4/c1-2-29-20(27)16-5-9-17(10-6-16)22-21(28)24-23-19(26)15-7-11-18(12-8-15)25-13-3-4-14-25/h3-14H,2H2,1H3,(H,23,26)(H2,22,24,28)