1-[(4-bromophenyl)amino]-3-(2,5-dimethyl-4-nitro-pyrazol-3-yl)urea

Systemtic Name: 1-[(4-bromophenyl)amino]-3-(2,5-dimethyl-4-nitro-pyrazol-3-yl)urea Openeye Name: 1-(4-bromoanilino)-3-(2,5-dimethyl-4-nitro-pyrazol-3-yl)urea CAS Name: 1-(4-bromoanilino)-3-(2,5-dimethyl-4-nitro-3-pyrazolyl)urea IUPAC Name: 1-(4-bromoanilino)-3-(2,5-dimethyl-4-nitropyrazol-3-yl)urea Traditional Name: 1-(4-bromoanilino)-3-(2,5-dimethyl-4-nitro-pyrazol-3-yl)urea Formula: C12H13BrN6O3 MolecularWeight: 369.17402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])NC(=O)NNC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])NC(=O)NNC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C12H13BrN6O3/c1-7-10(19(21)22)11(18(2)17-7)14-12(20)16-15-9-5-3-8(13)4-6-9/h3-6,15H,1-2H3,(H2,14,16,20)