[2-(butylamino)-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCC)OC

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCC)OC

InChI

InChI=1S/C16H22N2O7/c1-4-6-7-17-15(19)10-25-16(20)11-8-13(23-3)14(24-5-2)9-12(11)18(21)22/h8-9H,4-7,10H2,1-3H3,(H,17,19)