methyl 4-(4-ethanoylpiperazin-1-yl)-3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-ethanoylpiperazin-1-yl)-3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C25H29N5O7 MolecularWeight: 511.52706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C25H29N5O7/c1-17(31)27-7-9-28(10-8-27)23-5-3-18(25(33)36-2)15-21(23)26-24(32)20-16-19(30(34)35)4-6-22(20)29-11-13-37-14-12-29/h3-6,15-16H,7-14H2,1-2H3,(H,26,32)