ethyl 3-[[2-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(4-bromobenzyl)pyrazol-3-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H17BrN4O5 MolecularWeight: 473.27678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H17BrN4O5/c1-2-30-20(27)15-9-14(10-17(11-15)25(28)29)19(26)23-18-7-8-22-24(18)12-13-3-5-16(21)6-4-13/h3-11H,2,12H2,1H3,(H,23,26)