phenanthridin-6-ylmethyl 2-nitrobenzoate

Systemtic Name: phenanthridin-6-ylmethyl 2-nitrobenzoate Openeye Name: phenanthridin-6-ylmethyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid phenanthridin-6-ylmethyl ester Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O4/c24-21(17-10-4-6-12-20(17)23(25)26)27-13-19-16-9-2-1-7-14(16)15-8-3-5-11-18(15)22-19/h1-12H,13H2