ethyl 4-nitro-2-[2-prop-2-enoxyethanoyl(propyl)amino]benzoate

Systemtic Name: ethyl 4-nitro-2-[2-prop-2-enoxyethanoyl(propyl)amino]benzoate Openeye Name: ethyl 2-[(2-allyloxyacetyl)-propyl-amino]-4-nitro-benzoate CAS Name: 4-nitro-2-[(1-oxo-2-prop-2-enoxyethyl)-propylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-nitro-2-[(2-prop-2-enoxyacetyl)-propylamino]benzoate Traditional Name: 2-[(2-allyloxyacetyl)-propyl-amino]-4-nitro-benzoic acid ethyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COCC=C

Isomeric SMILES

CCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COCC=C

InChI

InChI=1S/C17H22N2O6/c1-4-9-18(16(20)12-24-10-5-2)15-11-13(19(22)23)7-8-14(15)17(21)25-6-3/h5,7-8,11H,2,4,6,9-10,12H2,1,3H3