methyl 5-nitro-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzoate

Systemtic Name: methyl 5-nitro-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzoate Openeye Name: methyl 5-nitro-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzoate CAS Name: 5-nitro-2-[2-[4-(1-pyrazolyl)phenyl]ethylamino]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzoate Traditional Name: 5-nitro-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzoic acid methyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H18N4O4/c1-27-19(24)17-13-16(23(25)26)7-8-18(17)20-11-9-14-3-5-15(6-4-14)22-12-2-10-21-22/h2-8,10,12-13,20H,9,11H2,1H3