ethyl 3-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(3-methyl-1-phenyl-4-pyrazolyl)propylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(3-methyl-1-phenylpyrazol-4-yl)propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCC2=CN(N=C2C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCC2=CN(N=C2C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O5/c1-3-32-23(29)19-12-18(13-21(14-19)27(30)31)22(28)24-11-7-8-17-15-26(25-16(17)2)20-9-5-4-6-10-20/h4-6,9-10,12-15H,3,7-8,11H2,1-2H3,(H,24,28)