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

Systemtic Name: methyl 3-[[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-4-24-7-9-25(10-8-24)18-5-6-20(15(2)11-18)23-21(27)16-12-17(22(28)31-3)14-19(13-16)26(29)30/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,27)