methyl 4-[(E)-1-(dimethylamino)-3-oxidanylidene-hex-1-en-2-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[(E)-1-(dimethylamino)-3-oxidanylidene-hex-1-en-2-yl]-3-nitro-benzoate Openeye Name: methyl 4-[(1E)-1-(dimethylaminomethylene)-2-oxo-pentyl]-3-nitro-benzoate CAS Name: 4-[(E)-1-(dimethylamino)-3-oxohex-1-en-2-yl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(E)-1-(dimethylamino)-3-oxohex-1-en-2-yl]-3-nitrobenzoate Traditional Name: 4-[(E)-1-butyryl-2-(dimethylamino)vinyl]-3-nitro-benzoic acid methyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=CN(C)C)C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)/C(=C/N(C)C)/C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-5-6-15(19)13(10-17(2)3)12-8-7-11(16(20)23-4)9-14(12)18(21)22/h7-10H,5-6H2,1-4H3/b13-10+