methyl 4-(1,7-phenanthrolin-6-ylcarbamoylamino)benzoate

Systemtic Name: methyl 4-(1,7-phenanthrolin-6-ylcarbamoylamino)benzoate Openeye Name: methyl 4-(1,7-phenanthrolin-6-ylcarbamoylamino)benzoate CAS Name: 4-[[oxo-(1,7-phenanthrolin-6-ylamino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(1,7-phenanthrolin-6-ylcarbamoylamino)benzoate Traditional Name: 4-(1,7-phenanthrolin-6-ylcarbamoylamino)benzoic acid methyl ester Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)NC2=C3C(=C4C(=C2)C=CC=N4)C=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)NC2=C3C(=C4C(=C2)C=CC=N4)C=CC=N3

InChI

InChI=1S/C21H16N4O3/c1-28-20(26)13-6-8-15(9-7-13)24-21(27)25-17-12-14-4-2-10-22-18(14)16-5-3-11-23-19(16)17/h2-12H,1H3,(H2,24,25,27)