[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=C(N(N=C2C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=C(N(N=C2C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5/c1-11-5-6-14(9-16(11)22(25)26)19-17(23)10-27-18(24)8-7-15-12(2)20-21(4)13(15)3/h5-6,9H,7-8,10H2,1-4H3,(H,19,23)