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

Systemtic Name: methyl 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[(5-methylisoxazol-3-yl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[(5-methylisoxazol-3-yl)methyl]piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H20N4O6/c1-12-7-15(19-28-12)11-20-3-5-21(6-4-20)17(23)13-8-14(18(24)27-2)10-16(9-13)22(25)26/h7-10H,3-6,11H2,1-2H3