2-(3-methyl-5-phenylazanyl-pyrazol-1-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(3-methyl-5-phenylazanyl-pyrazol-1-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(5-anilino-3-methyl-pyrazol-1-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(5-anilino-3-methyl-1-pyrazolyl)ethyl ester IUPAC Name: 2-(5-anilino-3-methylpyrazol-1-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(5-anilino-3-methyl-pyrazol-1-yl)ethyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=CC=CC=C2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1)NC2=CC=CC=C2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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