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

Systemtic Name: ethyl 3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[(2-chloro-4-nitro-benzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-4-nitrobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(2-chloro-4-nitro-benzoyl)amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C22H25ClN4O5 MolecularWeight: 460.9107

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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=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O5/c1-3-25-9-11-26(12-10-25)20-8-5-15(22(29)32-4-2)13-19(20)24-21(28)17-7-6-16(27(30)31)14-18(17)23/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,28)