methyl 3-azanyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-benzoate

Systemtic Name: methyl 3-azanyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-benzoate Openeye Name: methyl 3-amino-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-benzoate CAS Name: 3-amino-5-(4-methyl-1-piperazin-4-iumyl)-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-amino-5-(4-methylpiperazin-4-ium-1-yl)-2-nitrobenzoate Traditional Name: 3-amino-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-benzoic acid methyl ester Formula: C13H19N4O4+ MolecularWeight: 295.31436

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C(=C2)C(=O)OC)[N+](=O)[O-])N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C(=C2)C(=O)OC)[N+](=O)[O-])N

InChI

InChI=1S/C13H18N4O4/c1-15-3-5-16(6-4-15)9-7-10(13(18)21-2)12(17(19)20)11(14)8-9/h7-8H,3-6,14H2,1-2H3/p+1