quinolin-2-ylmethyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: quinolin-2-ylmethyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: 2-quinolylmethyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid 2-quinolylmethyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18N2O6/c1-3-27-19-10-15(17(22(24)25)11-18(19)26-2)20(23)28-12-14-9-8-13-6-4-5-7-16(13)21-14/h4-11H,3,12H2,1-2H3