quinolin-8-ylmethyl 3-nitrobenzoate

Systemtic Name: quinolin-8-ylmethyl 3-nitrobenzoate Openeye Name: 8-quinolylmethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 8-quinolylmethyl ester Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C17H12N2O4/c20-17(13-5-2-8-15(10-13)19(21)22)23-11-14-6-1-4-12-7-3-9-18-16(12)14/h1-10H,11H2