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

Systemtic Name: methyl 2-(4-methylpiperazin-1-yl)-5-nitro-benzoate Openeye Name: methyl 2-(4-methylpiperazin-1-yl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperazinyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(4-methylpiperazin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperazino)-5-nitro-benzoic acid methyl ester Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H17N3O4/c1-14-5-7-15(8-6-14)12-4-3-10(16(18)19)9-11(12)13(17)20-2/h3-4,9H,5-8H2,1-2H3