1-(1-adamantyl)-N-[(E)-(2-methylpyrazol-3-yl)methylideneamino]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[(E)-(2-methylpyrazol-3-yl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[(E)-(2-methylpyrazol-3-yl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[(E)-(2-methyl-3-pyrazolyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[(E)-(2-methylpyrazol-3-yl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[(E)-(2-methylpyrazol-3-yl)methyleneamino]-4-nitro-pyrazole-3-carboxamide Formula: C19H23N7O3 MolecularWeight: 397.43102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C=NNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=CC=N1)/C=N/NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H23N7O3/c1-24-15(2-3-21-24)10-20-22-18(27)17-16(26(28)29)11-25(23-17)19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,10-14H,4-9H2,1H3,(H,22,27)/b20-10+