methyl 3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(4-ethoxy-3-nitro-benzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethoxy-3-nitrobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(4-ethoxy-3-nitro-benzoyl)amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C23H28N4O6 MolecularWeight: 456.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6/c1-4-25-10-12-26(13-11-25)19-8-6-17(23(29)32-3)14-18(19)24-22(28)16-7-9-21(33-5-2)20(15-16)27(30)31/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,24,28)