methyl 3-[(5-nitro-3-phenyl-indazol-1-yl)methyl]benzoate

Systemtic Name: methyl 3-[(5-nitro-3-phenyl-indazol-1-yl)methyl]benzoate Openeye Name: methyl 3-[(5-nitro-3-phenyl-indazol-1-yl)methyl]benzoate CAS Name: 3-[(5-nitro-3-phenyl-1-indazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-nitro-3-phenylindazol-1-yl)methyl]benzoate Traditional Name: 3-[(5-nitro-3-phenyl-indazol-1-yl)methyl]benzoic acid methyl ester Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O4/c1-29-22(26)17-9-5-6-15(12-17)14-24-20-11-10-18(25(27)28)13-19(20)21(23-24)16-7-3-2-4-8-16/h2-13H,14H2,1H3