[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-[(2,5-dimethyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C17H20N4O7 MolecularWeight: 392.3633

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=NN2C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=NN2C)C)OC

InChI

InChI=1S/C17H20N4O7/c1-5-27-14-8-12(21(24)25)11(7-13(14)26-4)17(23)28-9-16(22)18-15-6-10(2)19-20(15)3/h6-8H,5,9H2,1-4H3,(H,18,22)