1-(1-adamantyl)-N-(3-chloranyl-4-methoxy-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(3-chloranyl-4-methoxy-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(3-chloro-4-methoxy-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(3-chloro-4-methoxyphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(3-chloro-4-methoxyphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(3-chloro-4-methoxy-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C21H23ClN4O4/c1-30-18-3-2-15(7-16(18)22)23-20(27)19-17(26(28)29)11-25(24-19)21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,23,27)