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

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-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-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-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-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C16H17ClN4O5 MolecularWeight: 380.78298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C16H17ClN4O5/c1-9-4-5-12(6-13(9)17)18-14(22)8-26-15(23)7-20-11(3)16(21(24)25)10(2)19-20/h4-6H,7-8H2,1-3H3,(H,18,22)