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N-[4-[2,4-dinitro-3-[4-(prop-2-enoylamino)butoxy]phenoxy]butyl]prop-2-enamide
N-[4-[2,4-dinitro-3-[4-(prop-2-enoylamino)butoxy]phenoxy]butyl]prop-2-enamide
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Descriptors Computed from Structure
Canonical SMILES:
C=CC(=O)NCCCCOC1=C(C(=C(C=C1)[N+](=O)[O-])OCCCCNC(=O)C=C)[N+](=O)[O-]
Isomeric SMILES
C=CC(=O)NCCCCOC1=C(C(=C(C=C1)[N+](=O)[O-])OCCCCNC(=O)C=C)[N+](=O)[O-]
InChI
InChI=1S/C20H26N4O8/c1-3-17(25)21-11-5-7-13-31-16-10-9-15(23(27)28)20(19(16)24(29)30)32-14-8-6-12-22-18(26)4-2/h3-4,9-10H,1-2,5-8,11-14H2,(H,21,25)(H,22,26)
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- (4-methylphenyl) 2-[4-(prop-2-enoylamino)butoxy]benzoate
