ethyl 5-methyl-1-[4-[(3-nitrophenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[(3-nitrophenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[(3-nitrophenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[(3-nitroanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[(3-nitrophenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[(3-nitrophenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N4O5/c1-3-29-20(26)18-12-21-23(13(18)2)16-9-7-14(8-10-16)19(25)22-15-5-4-6-17(11-15)24(27)28/h4-12H,3H2,1-2H3,(H,22,25)