8-nitro-2-[(E)-2-[1-(phenylmethyl)pyrazol-4-yl]ethenyl]quinoline

Systemtic Name: 8-nitro-2-[(E)-2-[1-(phenylmethyl)pyrazol-4-yl]ethenyl]quinoline Openeye Name: 2-[(E)-2-(1-benzylpyrazol-4-yl)vinyl]-8-nitro-quinoline CAS Name: 8-nitro-2-[(E)-2-[1-(phenylmethyl)-4-pyrazolyl]ethenyl]quinoline IUPAC Name: 2-[(E)-2-(1-benzylpyrazol-4-yl)ethenyl]-8-nitroquinoline Traditional Name: 2-[(E)-2-(1-benzylpyrazol-4-yl)vinyl]-8-nitro-quinoline Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC3=NC4=C(C=CC=C4[N+](=O)[O-])C=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C3=NC4=C(C=CC=C4[N+](=O)[O-])C=C3

InChI

InChI=1S/C21H16N4O2/c26-25(27)20-8-4-7-18-10-12-19(23-21(18)20)11-9-17-13-22-24(15-17)14-16-5-2-1-3-6-16/h1-13,15H,14H2/b11-9+