methyl 3-(5-methyl-1-oxidanylidene-hex-4-en-2-yl)-4-nitro-benzoate

Systemtic Name: methyl 3-(5-methyl-1-oxidanylidene-hex-4-en-2-yl)-4-nitro-benzoate Openeye Name: methyl 3-(1-formyl-4-methyl-pent-3-enyl)-4-nitro-benzoate CAS Name: 3-(5-methyl-1-oxohex-4-en-2-yl)-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(5-methyl-1-oxohex-4-en-2-yl)-4-nitrobenzoate Traditional Name: 3-(1-formyl-4-methyl-pent-3-enyl)-4-nitro-benzoic acid methyl ester Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C=O)C1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC(=CCC(C=O)C1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C15H17NO5/c1-10(2)4-5-12(9-17)13-8-11(15(18)21-3)6-7-14(13)16(19)20/h4,6-9,12H,5H2,1-3H3