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

Systemtic Name: methyl 3-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-ethylpiperazino)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5/c1-3-23-8-10-24(11-9-23)18-6-4-17(5-7-18)22-20(26)15-12-16(21(27)30-2)14-19(13-15)25(28)29/h4-7,12-14H,3,8-11H2,1-2H3,(H,22,26)