[4-(methylamino)-4-oxidanylidene-butyl] 4-nitrobenzoate

Systemtic Name: [4-(methylamino)-4-oxidanylidene-butyl] 4-nitrobenzoate Openeye Name: [4-(methylamino)-4-oxo-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(methylamino)-4-oxobutyl] ester IUPAC Name: [4-(methylamino)-4-oxobutyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-keto-4-(methylamino)butyl] ester Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-13-11(15)3-2-8-19-12(16)9-4-6-10(7-5-9)14(17)18/h4-7H,2-3,8H2,1H3,(H,13,15)