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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c1-4-7-15-13(18)9-22-14(19)10-5-6-11(16(2)3)12(8-10)17(20)21/h5-6,8H,4,7,9H2,1-3H3,(H,15,18)