methyl (2Z,4E)-5-(butylamino)-2-nitro-hexa-2,4-dienoate

Systemtic Name: methyl (2Z,4E)-5-(butylamino)-2-nitro-hexa-2,4-dienoate Openeye Name: methyl (2Z,4E)-5-(butylamino)-2-nitro-hexa-2,4-dienoate CAS Name: (2Z,4E)-5-(butylamino)-2-nitrohexa-2,4-dienoic acid methyl ester IUPAC Name: methyl (2Z,4E)-5-(butylamino)-2-nitrohexa-2,4-dienoate Traditional Name: (2Z,4E)-5-(butylamino)-2-nitro-hexa-2,4-dienoic acid methyl ester Formula: C11H18N2O4 MolecularWeight: 242.27162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN/C(=C/C=C(/C(=O)OC)\[N+](=O)[O-])/C

InChI

InChI=1S/C11H18N2O4/c1-4-5-8-12-9(2)6-7-10(13(15)16)11(14)17-3/h6-7,12H,4-5,8H2,1-3H3/b9-6+,10-7-