ethyl 4-(4-ethylpiperazin-1-yl)-3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[[3-nitro-4-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(3-nitro-4-piperidino-benzoyl)amino]benzoic acid ethyl ester Formula: C27H35N5O5 MolecularWeight: 509.5973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O5/c1-3-29-14-16-31(17-15-29)23-10-9-21(27(34)37-4-2)18-22(23)28-26(33)20-8-11-24(25(19-20)32(35)36)30-12-6-5-7-13-30/h8-11,18-19H,3-7,12-17H2,1-2H3,(H,28,33)