1-[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-(3-nitrophenyl)urea Openeye Name: 1-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]-3-(3-nitrophenyl)urea CAS Name: 1-[[(4-bromo-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(3-nitrophenyl)urea IUPAC Name: 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(3-nitrophenyl)urea Traditional Name: 1-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]-3-(3-nitrophenyl)urea Formula: C13H13BrN6O4 MolecularWeight: 397.18412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H13BrN6O4/c1-7-10(14)11(19(2)18-7)12(21)16-17-13(22)15-8-4-3-5-9(6-8)20(23)24/h3-6H,1-2H3,(H,16,21)(H2,15,17,22)