methyl 4-[(6-nitroindazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(6-nitroindazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(6-nitroindazol-1-yl)methyl]benzoate CAS Name: 4-[(6-nitro-1-indazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-nitroindazol-1-yl)methyl]benzoate Traditional Name: 4-[(6-nitroindazol-1-yl)methyl]benzoic acid methyl ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C16H13N3O4/c1-23-16(20)12-4-2-11(3-5-12)10-18-15-8-14(19(21)22)7-6-13(15)9-17-18/h2-9H,10H2,1H3