1-(2,3-dimethylphenyl)-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]urea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]urea Openeye Name: 1-(2,3-dimethylphenyl)-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]urea CAS Name: 1-(2,3-dimethylphenyl)-3-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]urea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]urea Traditional Name: 1-(2,3-dimethylphenyl)-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]urea Formula: C16H20N6O5 MolecularWeight: 376.3672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NNC(=O)C(C)N2C=C(C(=N2)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NNC(=O)C(C)N2C=C(C(=N2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N6O5/c1-9-6-5-7-12(10(9)2)17-16(24)19-18-14(23)11(3)21-8-13(22(25)26)15(20-21)27-4/h5-8,11H,1-4H3,(H,18,23)(H2,17,19,24)