O1-methyl O3-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C17H18N4O7 MolecularWeight: 390.34742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7/c1-10(2)20-14(4-5-18-20)19-15(22)9-28-17(24)12-6-11(16(23)27-3)7-13(8-12)21(25)26/h4-8,10H,9H2,1-3H3,(H,19,22)