(4-aminocarbonyl-2-nitro-phenyl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H17ClN4O5 MolecularWeight: 428.82578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H17ClN4O5/c1-12-17(18(21)24(23-12)10-13-5-3-2-4-6-13)20(27)30-11-15-8-7-14(19(22)26)9-16(15)25(28)29/h2-9H,10-11H2,1H3,(H2,22,26)