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

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-(4-methyl-2-nitro-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-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-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-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C16H17N5O7 MolecularWeight: 391.33548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O7/c1-9-4-5-12(13(6-9)20(24)25)17-14(22)8-28-15(23)7-19-11(3)16(21(26)27)10(2)18-19/h4-6H,7-8H2,1-3H3,(H,17,22)