N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-nitro-aniline hydrate

Systemtic Name: N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-nitro-aniline hydrate Openeye Name: N-[(E)-(1,3-diphenylpyrazol-4-yl)methyleneamino]-4-nitro-aniline hydrate CAS Name: N-[(E)-(1,3-diphenyl-4-pyrazolyl)methylideneamino]-4-nitroaniline hydrate IUPAC Name: N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-nitroaniline hydrate Traditional Name: [(E)-(1,3-diphenylpyrazol-4-yl)methyleneamino]-(4-nitrophenyl)amine hydrate Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N/NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.O

InChI

InChI=1S/C22H17N5O2.H2O/c28-27(29)21-13-11-19(12-14-21)24-23-15-18-16-26(20-9-5-2-6-10-20)25-22(18)17-7-3-1-4-8-17;/h1-16,24H;1H2/b23-15+;