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

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(5-nitro-2-pyrrolidino-benzoyl)amino]benzoic acid ethyl 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)OCC)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

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