methyl 4-[2-(4-methylpiperazin-1-yl)ethylamino]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(4-methylpiperazin-1-yl)ethylamino]-3-nitro-benzoate Openeye Name: methyl 4-[2-(4-methylpiperazin-1-yl)ethylamino]-3-nitro-benzoate CAS Name: 4-[2-(4-methyl-1-piperazinyl)ethylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-methylpiperazin-1-yl)ethylamino]-3-nitrobenzoate Traditional Name: 4-[2-(4-methylpiperazino)ethylamino]-3-nitro-benzoic acid methyl ester Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCNC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCNC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O4/c1-17-7-9-18(10-8-17)6-5-16-13-4-3-12(15(20)23-2)11-14(13)19(21)22/h3-4,11,16H,5-10H2,1-2H3