(1-phenylpyrazol-4-yl)methyl 2-azanyl-5-nitro-benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-azanyl-5-nitro-benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H14N4O4/c18-16-7-6-14(21(23)24)8-15(16)17(22)25-11-12-9-19-20(10-12)13-4-2-1-3-5-13/h1-10H,11,18H2