[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(3-isopropoxypropylamino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(3-isopropoxypropylamino)-2-keto-ethyl] ester Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNC(=O)COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O6/c1-10(2)23-7-3-6-17-14(19)9-24-15(20)11-4-5-12(16)13(8-11)18(21)22/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,19)