isocyanato-(1-methyl-3-nitro-pyrazol-4-yl)methanone

Systemtic Name: isocyanato-(1-methyl-3-nitro-pyrazol-4-yl)methanone Openeye Name: 1-methyl-3-nitro-pyrazole-4-carbonyl isocyanate CAS Name: isocyanato-(1-methyl-3-nitro-4-pyrazolyl)methanone IUPAC Name: 1-methyl-3-nitropyrazole-4-carbonyl isocyanate Traditional Name: isocyanato-(1-methyl-3-nitro-pyrazol-4-yl)methanone Formula: C6H4N4O4 MolecularWeight: 196.12036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)[N+](=O)[O-])C(=O)N=C=O

Isomeric SMILES

CN1C=C(C(=N1)[N+](=O)[O-])C(=O)N=C=O

InChI

InChI=1S/C6H4N4O4/c1-9-2-4(6(12)7-3-11)5(8-9)10(13)14/h2H,1H3