1-(2-chloranyl-5-methoxy-phenyl)-3-(2,4-dinitrophenyl)pyrazole-4-carbaldehyde

Systemtic Name: 1-(2-chloranyl-5-methoxy-phenyl)-3-(2,4-dinitrophenyl)pyrazole-4-carbaldehyde Openeye Name: 1-(2-chloro-5-methoxy-phenyl)-3-(2,4-dinitrophenyl)pyrazole-4-carbaldehyde CAS Name: 1-(2-chloro-5-methoxyphenyl)-3-(2,4-dinitrophenyl)-4-pyrazolecarboxaldehyde IUPAC Name: 1-(2-chloro-5-methoxyphenyl)-3-(2,4-dinitrophenyl)pyrazole-4-carbaldehyde Traditional Name: 1-(2-chloro-5-methoxy-phenyl)-3-(2,4-dinitrophenyl)pyrazole-4-carbaldehyde Formula: C17H11ClN4O6 MolecularWeight: 402.74544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)N2C=C(C(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C=O

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)N2C=C(C(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C=O

InChI

InChI=1S/C17H11ClN4O6/c1-28-12-3-5-14(18)16(7-12)20-8-10(9-23)17(19-20)13-4-2-11(21(24)25)6-15(13)22(26)27/h2-9H,1H3