N-[(Z)-(5-azanylidene-3-tert-butyl-1-phenyl-pyrazol-4-ylidene)amino]-4-nitro-aniline

Systemtic Name: N-[(Z)-(5-azanylidene-3-tert-butyl-1-phenyl-pyrazol-4-ylidene)amino]-4-nitro-aniline Openeye Name: N-[(Z)-(3-tert-butyl-5-imino-1-phenyl-pyrazol-4-ylidene)amino]-4-nitro-aniline CAS Name: N-[(Z)-(3-tert-butyl-5-imino-1-phenyl-4-pyrazolylidene)amino]-4-nitroaniline IUPAC Name: N-[(Z)-(3-tert-butyl-5-imino-1-phenylpyrazol-4-ylidene)amino]-4-nitroaniline Traditional Name: [(Z)-(3-tert-butyl-5-imino-1-phenyl-2-pyrazolin-4-ylidene)amino]-(4-nitrophenyl)amine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N)C1=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C\1=NN(C(=N)/C1=N\NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H20N6O2/c1-19(2,3)17-16(18(20)24(23-17)14-7-5-4-6-8-14)22-21-13-9-11-15(12-10-13)25(26)27/h4-12,20-21H,1-3H3/b20-18?,22-16-