methyl 5-morpholin-4-yl-2-[3-[(2-nitrophenyl)amino]propanoylamino]benzoate

Systemtic Name: methyl 5-morpholin-4-yl-2-[3-[(2-nitrophenyl)amino]propanoylamino]benzoate Openeye Name: methyl 5-morpholino-2-[3-(2-nitroanilino)propanoylamino]benzoate CAS Name: 5-(4-morpholinyl)-2-[[3-(2-nitroanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-morpholin-4-yl-2-[3-(2-nitroanilino)propanoylamino]benzoate Traditional Name: 5-morpholino-2-[3-(2-nitroanilino)propanoylamino]benzoic acid methyl ester Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6/c1-30-21(27)16-14-15(24-10-12-31-13-11-24)6-7-17(16)23-20(26)8-9-22-18-4-2-3-5-19(18)25(28)29/h2-7,14,22H,8-13H2,1H3,(H,23,26)