(2-cyanophenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (2-cyanophenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (2-cyanophenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (2-cyanobenzyl) ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c1-25-9-8-20-16-7-6-13(10-17(16)21(23)24)18(22)26-12-15-5-3-2-4-14(15)11-19/h2-7,10,20H,8-9,12H2,1H3