3-cyanopropyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: 3-cyanopropyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: 3-cyanopropyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid 3-cyanopropyl ester Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5/c14-5-1-2-8-21-13(18)11-9-10(16(19)20)3-4-12(11)15-6-7-17/h3-4,9,15,17H,1-2,6-8H2