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

Systemtic Name: ethyl 3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-[(3-methylisoxazol-5-yl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[(3-methylisoxazol-5-yl)methyl]piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C19H22N4O6 MolecularWeight: 402.40118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC(=NO3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC(=NO3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O6/c1-3-28-19(25)15-9-14(10-16(11-15)23(26)27)18(24)22-6-4-21(5-7-22)12-17-8-13(2)20-29-17/h8-11H,3-7,12H2,1-2H3