N-but-3-enyl-2-propoxy-ethanamide; ethyl 4-nitrobenzoate

Systemtic Name: N-but-3-enyl-2-propoxy-ethanamide; ethyl 4-nitrobenzoate Openeye Name: N-but-3-enyl-2-propoxy-acetamide; ethyl 4-nitrobenzoate CAS Name: N-but-3-enyl-2-propoxyacetamide; 4-nitrobenzoic acid ethyl ester IUPAC Name: N-but-3-enyl-2-propoxyacetamide; ethyl 4-nitrobenzoate Traditional Name: N-but-3-enyl-2-propoxy-acetamide; 4-nitrobenzoic acid ethyl ester Formula: C18H26N2O6 MolecularWeight: 366.40884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(=O)NCCC=C.CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCOCC(=O)NCCC=C.CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO4.C9H17NO2/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13;1-3-5-6-10-9(11)8-12-7-4-2/h3-6H,2H2,1H3;3H,1,4-8H2,2H3,(H,10,11)