N-[(E)-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-(2,4-dinitrophenyl)amine Formula: C18H15ClN6O4 MolecularWeight: 414.8025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H15ClN6O4/c1-12-15(18(19)23(22-12)11-13-5-3-2-4-6-13)10-20-21-16-8-7-14(24(26)27)9-17(16)25(28)29/h2-10,21H,11H2,1H3/b20-10+