phenanthridin-6-ylmethyl 2-methoxy-5-nitro-benzoate

Systemtic Name: phenanthridin-6-ylmethyl 2-methoxy-5-nitro-benzoate Openeye Name: phenanthridin-6-ylmethyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid phenanthridin-6-ylmethyl ester Formula: C22H16N2O5 MolecularWeight: 388.37284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C22H16N2O5/c1-28-21-11-10-14(24(26)27)12-18(21)22(25)29-13-20-17-8-3-2-6-15(17)16-7-4-5-9-19(16)23-20/h2-12H,13H2,1H3