(3-azanyl-3-oxidanylidene-propyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (3-amino-3-oxo-propyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (3-amino-3-keto-propyl) ester Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6/c13-11(17)3-6-21-12(18)9-7-8(15(19)20)1-2-10(9)14-4-5-16/h1-2,7,14,16H,3-6H2,(H2,13,17)