quinolin-2-ylmethyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: quinolin-2-ylmethyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 2-quinolylmethyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 2-quinolylmethyl ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4/c1-21(2)17-10-8-14(11-18(17)22(24)25)19(23)26-12-15-9-7-13-5-3-4-6-16(13)20-15/h3-11H,12H2,1-2H3