methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazin-4-iumyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzoic acid methyl ester Formula: C18H23N4O5+ MolecularWeight: 375.39902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H22N4O5/c1-12-16(13(2)27-19-12)11-20-6-8-21(9-7-20)17-5-4-14(22(24)25)10-15(17)18(23)26-3/h4-5,10H,6-9,11H2,1-3H3/p+1