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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5/c1-2-5-14-11(16)7-20-12(17)9-4-3-8(15(18)19)6-10(9)13/h3-4,6H,2,5,7,13H2,1H3,(H,14,16)