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

Systemtic Name: ethyl 3-[[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(4-ethyl-1-piperazinyl)-2-methylanilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-ethylpiperazino)-2-methyl-phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5/c1-4-25-8-10-26(11-9-25)19-6-7-21(16(3)12-19)24-22(28)17-13-18(23(29)32-5-2)15-20(14-17)27(30)31/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,24,28)