methyl 2-(4-ethanoylpiperazin-1-yl)-5-nitro-benzoate

Systemtic Name: methyl 2-(4-ethanoylpiperazin-1-yl)-5-nitro-benzoate Openeye Name: methyl 2-(4-acetylpiperazin-1-yl)-5-nitro-benzoate CAS Name: 2-(4-acetyl-1-piperazinyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(4-acetylpiperazin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-acetylpiperazino)-5-nitro-benzoic acid methyl ester Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H17N3O5/c1-10(18)15-5-7-16(8-6-15)13-4-3-11(17(20)21)9-12(13)14(19)22-2/h3-4,9H,5-8H2,1-2H3