3-[(E)-2-(4,6-dimethylpyridin-2-yl)ethenyl]-6-nitro-1-(oxan-2-yl)indazole

Systemtic Name: 3-[(E)-2-(4,6-dimethylpyridin-2-yl)ethenyl]-6-nitro-1-(oxan-2-yl)indazole Openeye Name: 3-[(E)-2-(4,6-dimethyl-2-pyridyl)vinyl]-6-nitro-1-tetrahydropyran-2-yl-indazole CAS Name: 3-[(E)-2-(4,6-dimethyl-2-pyridinyl)ethenyl]-6-nitro-1-(2-oxanyl)indazole IUPAC Name: 3-[(E)-2-(4,6-dimethylpyridin-2-yl)ethenyl]-6-nitro-1-(oxan-2-yl)indazole Traditional Name: 3-[(E)-2-(4,6-dimethyl-2-pyridyl)vinyl]-6-nitro-1-tetrahydropyran-2-yl-indazole Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)C)C=CC2=NN(C3=C2C=CC(=C3)[N+](=O)[O-])C4CCCCO4

Isomeric SMILES

CC1=CC(=NC(=C1)C)/C=C/C2=NN(C3=C2C=CC(=C3)[N+](=O)[O-])C4CCCCO4

InChI

InChI=1S/C21H22N4O3/c1-14-11-15(2)22-16(12-14)6-9-19-18-8-7-17(25(26)27)13-20(18)24(23-19)21-5-3-4-10-28-21/h6-9,11-13,21H,3-5,10H2,1-2H3/b9-6+