methyl 5-(4-chlorophenyl)-2-[(2,4-dinitrophenyl)carbamoyl]-3,4-dihydropyrazole-4-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)-2-[(2,4-dinitrophenyl)carbamoyl]-3,4-dihydropyrazole-4-carboxylate Openeye Name: methyl 5-(4-chlorophenyl)-2-[(2,4-dinitrophenyl)carbamoyl]-3,4-dihydropyrazole-4-carboxylate CAS Name: 5-(4-chlorophenyl)-2-[(2,4-dinitroanilino)-oxomethyl]-3,4-dihydropyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorophenyl)-2-[(2,4-dinitrophenyl)carbamoyl]-3,4-dihydropyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-[(2,4-dinitrophenyl)carbamoyl]-2-pyrazoline-4-carboxylic acid methyl ester Formula: C18H14ClN5O7 MolecularWeight: 447.78606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O7/c1-31-17(25)13-9-22(21-16(13)10-2-4-11(19)5-3-10)18(26)20-14-7-6-12(23(27)28)8-15(14)24(29)30/h2-8,13H,9H2,1H3,(H,20,26)