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

Systemtic Name: quinolin-2-ylmethyl 4-(methylamino)-3-nitro-benzoate Openeye Name: 2-quinolylmethyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 2-quinolylmethyl ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4/c1-19-16-9-7-13(10-17(16)21(23)24)18(22)25-11-14-8-6-12-4-2-3-5-15(12)20-14/h2-10,19H,11H2,1H3