[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-8(2)6-15-12(17)7-21-13(18)10-4-3-9(16(19)20)5-11(10)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,17)