1-cyanoethyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: 1-cyanoethyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 1-cyanoethyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 1-cyanoethyl ester Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C=C1)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C#N)OC(=O)C1=CC(=C(C=C1)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4/c1-8(7-13)19-12(16)9-4-5-10(14(2)3)11(6-9)15(17)18/h4-6,8H,1-3H3