[2-oxidanylidene-2-(propylamino)ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-3-6-15-12(17)8-21-13(18)9-4-5-10(14-2)11(7-9)16(19)20/h4-5,7,14H,3,6,8H2,1-2H3,(H,15,17)