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

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(5-nitro-2-piperidino-benzoyl)amino]benzoic acid methyl ester Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C26H33N5O5/c1-3-28-13-15-30(16-14-28)24-9-7-19(26(33)36-2)17-22(24)27-25(32)21-18-20(31(34)35)8-10-23(21)29-11-5-4-6-12-29/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,27,32)