N-[(E)-[3-methyl-5-methylidene-1-(4-nitrophenyl)pyrazol-4-ylidene]methyl]-1-phenyl-ethanamine

Systemtic Name: N-[(E)-[3-methyl-5-methylidene-1-(4-nitrophenyl)pyrazol-4-ylidene]methyl]-1-phenyl-ethanamine Openeye Name: N-[(E)-[3-methyl-5-methylene-1-(4-nitrophenyl)pyrazol-4-ylidene]methyl]-1-phenyl-ethanamine CAS Name: N-[(E)-[3-methyl-5-methylene-1-(4-nitrophenyl)-4-pyrazolylidene]methyl]-1-phenylethanamine IUPAC Name: N-[(E)-[3-methyl-5-methylidene-1-(4-nitrophenyl)pyrazol-4-ylidene]methyl]-1-phenylethanamine Traditional Name: [(E)-[3-methyl-5-methylene-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]methyl]-(1-phenylethyl)amine Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C)C1=CNC(C)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=C)/C1=C\NC(C)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O2/c1-14(17-7-5-4-6-8-17)21-13-20-15(2)22-23(16(20)3)18-9-11-19(12-10-18)24(25)26/h4-14,21H,3H2,1-2H3/b20-13-