[2-(hexylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-2-3-4-5-8-17-14(19)10-23-15(20)12-9-11(18(21)22)6-7-13(12)16/h6-7,9H,2-5,8,10,16H2,1H3,(H,17,19)