4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]butanamide

Systemtic Name: 4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]butanamide Openeye Name: 4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]butanamide CAS Name: 4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide IUPAC Name: 4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide Traditional Name: 4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]butyramide Formula: C21H20ClN5O6 MolecularWeight: 473.8664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C21H20ClN5O6/c1-13-5-7-17(8-6-13)33-18-11-15(10-16(12-18)26(29)30)23-19(28)4-3-9-25-14(2)20(22)21(24-25)27(31)32/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,28)