[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C19H24N4O7 MolecularWeight: 420.41646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C19H24N4O7/c1-5-28-15-8-7-14(9-16(15)29-6-2)20-17(24)11-30-18(25)10-22-13(4)19(23(26)27)12(3)21-22/h7-9H,5-6,10-11H2,1-4H3,(H,20,24)